Organoheterocyclic compounds
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5-(tert-Butyl)-3-(chloromethyl)-1,2,4-oxadiazole, 95+%, Thermo Scientific™
CAS: 175205-41-1 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 InChI Key: AIVSLDAXUIRICJ-UHFFFAOYSA-N PubChem CID: 2796738 IUPAC Name: 5-tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole SMILES: CC(C)(C)C1=NC(=NO1)CCl
| PubChem CID | 2796738 |
|---|---|
| CAS | 175205-41-1 |
| Molecular Weight (g/mol) | 174.628 |
| SMILES | CC(C)(C)C1=NC(=NO1)CCl |
| IUPAC Name | 5-tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole |
| InChI Key | AIVSLDAXUIRICJ-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O |
2-Morpholinophenol, 97%, Thermo Scientific™
CAS: 41536-44-1 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00051674 InChI Key: VMPYFWTYGZZUMY-UHFFFAOYSA-N PubChem CID: 2795394 IUPAC Name: 2-morpholin-4-ylphenol SMILES: C1COCCN1C2=CC=CC=C2O
| PubChem CID | 2795394 |
|---|---|
| CAS | 41536-44-1 |
| Molecular Weight (g/mol) | 179.219 |
| MDL Number | MFCD00051674 |
| SMILES | C1COCCN1C2=CC=CC=C2O |
| IUPAC Name | 2-morpholin-4-ylphenol |
| InChI Key | VMPYFWTYGZZUMY-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
3-(5-Bromo-pyridin-3-yl)-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester, ≥97%, Thermo Scientific™
CAS: 850375-34-7 Molecular Formula: C10H8BrN3O3 Molecular Weight (g/mol): 298.096 MDL Number: MFCD06797495 InChI Key: LSHJXSGSPMZMFQ-UHFFFAOYSA-N Synonym: ethyl 3-5-bromopyridin-3-yl-1,2,4-oxadiazole-5-carboxylate,3-5-bromo-pyridin-3-yl-1,2,4 oxadiazole-5-carboxylic acid ethyl ester,1,2,4-oxadiazole-5-carboxylicacid, 3-5-bromo-3-pyridinyl-, ethyl ester,3-5-bromopyridin-3-yl-1,2,4 oxadiazole-5-carboxylic acid ethyl ester PubChem CID: 7170018 IUPAC Name: ethyl 3-(5-bromopyridin-3-yl)-1,2,4-oxadiazole-5-carboxylate SMILES: CCOC(=O)C1=NC(=NO1)C2=CC(=CN=C2)Br
| PubChem CID | 7170018 |
|---|---|
| CAS | 850375-34-7 |
| Molecular Weight (g/mol) | 298.096 |
| MDL Number | MFCD06797495 |
| SMILES | CCOC(=O)C1=NC(=NO1)C2=CC(=CN=C2)Br |
| Synonym | ethyl 3-5-bromopyridin-3-yl-1,2,4-oxadiazole-5-carboxylate,3-5-bromo-pyridin-3-yl-1,2,4 oxadiazole-5-carboxylic acid ethyl ester,1,2,4-oxadiazole-5-carboxylicacid, 3-5-bromo-3-pyridinyl-, ethyl ester,3-5-bromopyridin-3-yl-1,2,4 oxadiazole-5-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 3-(5-bromopyridin-3-yl)-1,2,4-oxadiazole-5-carboxylate |
| InChI Key | LSHJXSGSPMZMFQ-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrN3O3 |
2-(Chloromethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole, ≥95%, Thermo Scientific™
CAS: 287197-95-9 Molecular Formula: C10H9ClN2O Molecular Weight (g/mol): 208.645 MDL Number: MFCD00662318 InChI Key: JDAULQMOFMANSL-UHFFFAOYSA-N Synonym: 2-chloromethyl-5-4-methylphenyl-1,3,4-oxadiazole,5-chloromethyl-2-4-methylphenyl-1,3,4-oxadiazole,1,3,4-oxadiazole, 2-chloromethyl-5-4-methylphenyl,1,3,4-oxadiazole,2-chloromethyl-5-4-methylphenyl,2-chloromethyl-5-p-tolyl-1,3,4 oxadiazole,2-chloromethyl-5-p-tolyl-1,3,4-oxadiazole,1,3,4 oxadiazole, 2-chloromethyl-5-p-tolyl PubChem CID: 736973 IUPAC Name: 2-(chloromethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)CCl
| PubChem CID | 736973 |
|---|---|
| CAS | 287197-95-9 |
| Molecular Weight (g/mol) | 208.645 |
| MDL Number | MFCD00662318 |
| SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)CCl |
| Synonym | 2-chloromethyl-5-4-methylphenyl-1,3,4-oxadiazole,5-chloromethyl-2-4-methylphenyl-1,3,4-oxadiazole,1,3,4-oxadiazole, 2-chloromethyl-5-4-methylphenyl,1,3,4-oxadiazole,2-chloromethyl-5-4-methylphenyl,2-chloromethyl-5-p-tolyl-1,3,4 oxadiazole,2-chloromethyl-5-p-tolyl-1,3,4-oxadiazole,1,3,4 oxadiazole, 2-chloromethyl-5-p-tolyl |
| IUPAC Name | 2-(chloromethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole |
| InChI Key | JDAULQMOFMANSL-UHFFFAOYSA-N |
| Molecular Formula | C10H9ClN2O |
4-(1-Pyrrolidinyl)benzonitrile, ≥90%, Thermo Scientific™
CAS: 10282-30-1 Molecular Formula: C11H12N2 Molecular Weight (g/mol): 172.231 MDL Number: MFCD07368512 InChI Key: ZNMSYUCZLWETII-UHFFFAOYSA-N Synonym: 4-pyrrolidin-1-yl benzonitrile,4-1-pyrrolidinyl benzonitrile,4-pyrrolidin-1-yl-benzonitrile,benzonitrile,4-1-pyrrolidinyl,1-4-cyanophenyl pyrrolidine,4-pyrrolidinobenzonitrile,4-pyrrolidinylbenzonitrile,4-pyrrolidinylbenzenecarbonitrile,4-pyrrolidine-1-yl-benzonitrile PubChem CID: 4961271 IUPAC Name: 4-pyrrolidin-1-ylbenzonitrile SMILES: C1CCN(C1)C2=CC=C(C=C2)C#N
| PubChem CID | 4961271 |
|---|---|
| CAS | 10282-30-1 |
| Molecular Weight (g/mol) | 172.231 |
| MDL Number | MFCD07368512 |
| SMILES | C1CCN(C1)C2=CC=C(C=C2)C#N |
| Synonym | 4-pyrrolidin-1-yl benzonitrile,4-1-pyrrolidinyl benzonitrile,4-pyrrolidin-1-yl-benzonitrile,benzonitrile,4-1-pyrrolidinyl,1-4-cyanophenyl pyrrolidine,4-pyrrolidinobenzonitrile,4-pyrrolidinylbenzonitrile,4-pyrrolidinylbenzenecarbonitrile,4-pyrrolidine-1-yl-benzonitrile |
| IUPAC Name | 4-pyrrolidin-1-ylbenzonitrile |
| InChI Key | ZNMSYUCZLWETII-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2 |
1,2,3-Benzothiadiazole-5-carbonyl chloride, 95%, Thermo Scientific™
CAS: 321309-32-4 Molecular Formula: C7H3ClN2OS Molecular Weight (g/mol): 198.624 InChI Key: VOSTUOLSYXVSND-UHFFFAOYSA-N Synonym: 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride PubChem CID: 2735457 IUPAC Name: 1,2,3-benzothiadiazole-5-carbonyl chloride SMILES: C1=CC2=C(C=C1C(=O)Cl)N=NS2
| PubChem CID | 2735457 |
|---|---|
| CAS | 321309-32-4 |
| Molecular Weight (g/mol) | 198.624 |
| SMILES | C1=CC2=C(C=C1C(=O)Cl)N=NS2 |
| Synonym | 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride |
| IUPAC Name | 1,2,3-benzothiadiazole-5-carbonyl chloride |
| InChI Key | VOSTUOLSYXVSND-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClN2OS |
4-Iodo-2,1,3-benzothiadiazole, 97%, Thermo Scientific™
CAS: 352018-95-2 Molecular Formula: C6H3IN2S Molecular Weight (g/mol): 262.07 MDL Number: MFCD02681904 InChI Key: ROPRWVSWECJQIC-UHFFFAOYSA-N Synonym: 4-iodobenzo c 1,2,5 thiadiazole,2,1,3-benzothiadiazole,4-iodo,4-iodo-benzo 1,2,5 thiadiazole,4-iodanyl-2,1,3-benzothiadiazole,4-iodobenzo c 1,2,5-thiadiazole,4-iodo-2,1,3-benzothiadiazole PubChem CID: 2776287 IUPAC Name: 4-iodo-2,1,3-benzothiadiazole SMILES: IC1=CC=CC2=NSN=C12
| PubChem CID | 2776287 |
|---|---|
| CAS | 352018-95-2 |
| Molecular Weight (g/mol) | 262.07 |
| MDL Number | MFCD02681904 |
| SMILES | IC1=CC=CC2=NSN=C12 |
| Synonym | 4-iodobenzo c 1,2,5 thiadiazole,2,1,3-benzothiadiazole,4-iodo,4-iodo-benzo 1,2,5 thiadiazole,4-iodanyl-2,1,3-benzothiadiazole,4-iodobenzo c 1,2,5-thiadiazole,4-iodo-2,1,3-benzothiadiazole |
| IUPAC Name | 4-iodo-2,1,3-benzothiadiazole |
| InChI Key | ROPRWVSWECJQIC-UHFFFAOYSA-N |
| Molecular Formula | C6H3IN2S |
(3-Methylisoxazol-5-yl)methanol, 97%, Thermo Scientific™
CAS: 14716-89-3 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD09859210 InChI Key: OFSDWHRZVRCPBR-UHFFFAOYSA-N Synonym: 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole PubChem CID: 10820493 IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanol SMILES: CC1=NOC(=C1)CO
| PubChem CID | 10820493 |
|---|---|
| CAS | 14716-89-3 |
| Molecular Weight (g/mol) | 113.116 |
| MDL Number | MFCD09859210 |
| SMILES | CC1=NOC(=C1)CO |
| Synonym | 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole |
| IUPAC Name | (3-methyl-1,2-oxazol-5-yl)methanol |
| InChI Key | OFSDWHRZVRCPBR-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
Benzo[d]isoxazol-3-ol, ≥95%, Thermo Scientific™
CAS: 21725-69-9 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00125030 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2
| PubChem CID | 210830 |
|---|---|
| CAS | 21725-69-9 |
| Molecular Weight (g/mol) | 135.122 |
| MDL Number | MFCD00125030 |
| SMILES | C1=CC=C2C(=C1)C(=O)NO2 |
| Synonym | benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone |
| IUPAC Name | 1,2-benzoxazol-3-one |
| InChI Key | QLDQYRDCPNBPII-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |
5-Methyl-4-isoxazolesulfonyl chloride, 95%, Thermo Scientific™
CAS: 321309-26-6 Molecular Formula: C4H4ClNO3S Molecular Weight (g/mol): 181.59 MDL Number: MFCD02681975 InChI Key: STYUNYVEEFPQMF-UHFFFAOYSA-N Synonym: 5-methyl-4-isoxazolesulfonyl chloride,5-methylisoxazole-4-sulfonyl chloride,4-isoxazolesulfonyl chloride, 5-methyl,4-chlorosulfonyl-5-methylisoxazole,chloro 5-methylisoxazol-4-yl sulfone,4-chlorosulphonyl-5-methylisoxazole,4-isoxazolesulfonylchloride, 5-methyl,5-methyl-4-isoxazole sulfonyl chloride,5-methyl-isoxazole-4-sulfonyl chloride,5-methylisoxazole-4-sulphonyl chloride PubChem CID: 2776141 IUPAC Name: 5-methyl-1,2-oxazole-4-sulfonyl chloride SMILES: CC1=C(C=NO1)S(=O)(=O)Cl
| PubChem CID | 2776141 |
|---|---|
| CAS | 321309-26-6 |
| Molecular Weight (g/mol) | 181.59 |
| MDL Number | MFCD02681975 |
| SMILES | CC1=C(C=NO1)S(=O)(=O)Cl |
| Synonym | 5-methyl-4-isoxazolesulfonyl chloride,5-methylisoxazole-4-sulfonyl chloride,4-isoxazolesulfonyl chloride, 5-methyl,4-chlorosulfonyl-5-methylisoxazole,chloro 5-methylisoxazol-4-yl sulfone,4-chlorosulphonyl-5-methylisoxazole,4-isoxazolesulfonylchloride, 5-methyl,5-methyl-4-isoxazole sulfonyl chloride,5-methyl-isoxazole-4-sulfonyl chloride,5-methylisoxazole-4-sulphonyl chloride |
| IUPAC Name | 5-methyl-1,2-oxazole-4-sulfonyl chloride |
| InChI Key | STYUNYVEEFPQMF-UHFFFAOYSA-N |
| Molecular Formula | C4H4ClNO3S |
5-chlorobenzo[d]isoxazol-3-ol, Thermo Scientific™
CAS: 24603-63-2 Molecular Formula: C7H4ClNO2 Molecular Weight (g/mol): 169.564 InChI Key: WIZWHBRFTCYPDN-UHFFFAOYSA-N Synonym: 5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one PubChem CID: 3714169 IUPAC Name: 5-chloro-1,2-benzoxazol-3-one SMILES: C1=CC2=C(C=C1Cl)C(=O)NO2
| PubChem CID | 3714169 |
|---|---|
| CAS | 24603-63-2 |
| Molecular Weight (g/mol) | 169.564 |
| SMILES | C1=CC2=C(C=C1Cl)C(=O)NO2 |
| Synonym | 5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one |
| IUPAC Name | 5-chloro-1,2-benzoxazol-3-one |
| InChI Key | WIZWHBRFTCYPDN-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO2 |
5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 90%, Thermo Scientific™
CAS: 16883-16-2 Molecular Formula: C11H8ClNO2 Molecular Weight (g/mol): 221.64 MDL Number: MFCD00052205 InChI Key: HXEVQMXCHCDPSO-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 PubChem CID: 85624 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
| PubChem CID | 85624 |
|---|---|
| CAS | 16883-16-2 |
| Molecular Weight (g/mol) | 221.64 |
| MDL Number | MFCD00052205 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl |
| Synonym | 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 |
| IUPAC Name | 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride |
| InChI Key | HXEVQMXCHCDPSO-UHFFFAOYSA-N |
| Molecular Formula | C11H8ClNO2 |