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Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.

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1

2-Methyl-2-phenylpropylmagnesium chloride, 0.5M solution in diethyl ether, AcroSeal™

CAS: 35293-35-7 Molecular Formula: C10H13ClMg Molecular Weight (g/mol): 192.97 MDL Number: MFCD00075586 InChI Key: BXKYFONHSSFLKR-UHFFFAOYSA-M Synonym: neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether PubChem CID: 118802 IUPAC Name: magnesium;2-methanidylpropan-2-ylbenzene;chloride SMILES: CC(C)(C[Mg]Cl)C1=CC=CC=C1

PubChem CID 118802
CAS 35293-35-7
Molecular Weight (g/mol) 192.97
MDL Number MFCD00075586
SMILES CC(C)(C[Mg]Cl)C1=CC=CC=C1
Synonym neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether
IUPAC Name magnesium;2-methanidylpropan-2-ylbenzene;chloride
InChI Key BXKYFONHSSFLKR-UHFFFAOYSA-M
Molecular Formula C10H13ClMg
7

Ethyl 5-(thiophen-2-yl)isoxazole-3-carboxylate, TRC

CAS: 90924-54-2 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.25 IUPAC Name: ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate SMILES: CCOC(=O)c1cc(on1)c2cccs2

CAS 90924-54-2
Molecular Weight (g/mol) 223.25
SMILES CCOC(=O)c1cc(on1)c2cccs2
IUPAC Name ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
Molecular Formula C10H9NO3S
8

5-(Thiophen-2-yl)isoxazole-3-carboxylic Acid, TRC

CAS: 763109-71-3 Molecular Formula: C8H5NO3S Molecular Weight (g/mol): 195.19 Synonym: 5-(2-Thienyl)-3-isoxazolecarboxylic Acid IUPAC Name: 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid SMILES: OC(=O)c1cc(on1)c2cccs2

CAS 763109-71-3
Molecular Weight (g/mol) 195.19
SMILES OC(=O)c1cc(on1)c2cccs2
Synonym 5-(2-Thienyl)-3-isoxazolecarboxylic Acid
IUPAC Name 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid
Molecular Formula C8H5NO3S
9

Ethyl 3,5-dimethylisoxazole-4-carboxylate, 97%

CAS: 17147-42-1 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00052557 InChI Key: OQRHVDXUJAQVNT-UHFFFAOYSA-N Synonym: ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole PubChem CID: 736348 IUPAC Name: ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=C(ON=C1C)C

PubChem CID 736348
CAS 17147-42-1
Molecular Weight (g/mol) 169.18
MDL Number MFCD00052557
SMILES CCOC(=O)C1=C(ON=C1C)C
Synonym ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole
IUPAC Name ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
InChI Key OQRHVDXUJAQVNT-UHFFFAOYSA-N
Molecular Formula C8H11NO3
10

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 3919-76-4 Molecular Formula: C11H7Cl2NO3 Molecular Weight (g/mol): 272.08 MDL Number: MFCD00051658 InChI Key: WQXUUMUOERZZAE-UHFFFAOYSA-N Synonym: 3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2',6'-dichlorophenyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,3-2,6-dichlorophenyl-5-methyl-4-isoxazolecarboxylic acid,pubchem8684,dicloxacillin impurity d,acmc-1cmb3,pyridinium hydroxy propyl sulphobetaine; pps-oh,3-2,6-dichlorophenyl-5-methylisoxazol-4-carboxylic acid PubChem CID: 77521 IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl

PubChem CID 77521
CAS 3919-76-4
Molecular Weight (g/mol) 272.08
MDL Number MFCD00051658
SMILES CC1=C(C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl
Synonym 3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2',6'-dichlorophenyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,3-2,6-dichlorophenyl-5-methyl-4-isoxazolecarboxylic acid,pubchem8684,dicloxacillin impurity d,acmc-1cmb3,pyridinium hydroxy propyl sulphobetaine; pps-oh,3-2,6-dichlorophenyl-5-methylisoxazol-4-carboxylic acid
IUPAC Name 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key WQXUUMUOERZZAE-UHFFFAOYSA-N
Molecular Formula C11H7Cl2NO3
12

Isoxazole-5-carbothioamide, 97%, Thermo Scientific™

CAS: 175334-72-2 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00276995 InChI Key: CEDRGDFENMZKCQ-UHFFFAOYSA-N Synonym: isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione PubChem CID: 2799515 IUPAC Name: 1,2-oxazole-5-carbothioamide SMILES: NC(=S)C1=CC=NO1

PubChem CID 2799515
CAS 175334-72-2
Molecular Weight (g/mol) 128.15
MDL Number MFCD00276995
SMILES NC(=S)C1=CC=NO1
Synonym isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione
IUPAC Name 1,2-oxazole-5-carbothioamide
InChI Key CEDRGDFENMZKCQ-UHFFFAOYSA-N
Molecular Formula C4H4N2OS
13

5-Methyl-4-isoxazolecarbonyl chloride, 97%, Thermo Scientific™

CAS: 67305-24-2 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.542 InChI Key: ZKAQPVQEYCFRTK-UHFFFAOYSA-N Synonym: 5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl PubChem CID: 2759917 IUPAC Name: 5-methyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C=NO1)C(=O)Cl

PubChem CID 2759917
CAS 67305-24-2
Molecular Weight (g/mol) 145.542
SMILES CC1=C(C=NO1)C(=O)Cl
Synonym 5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl
IUPAC Name 5-methyl-1,2-oxazole-4-carbonyl chloride
InChI Key ZKAQPVQEYCFRTK-UHFFFAOYSA-N
Molecular Formula C5H4ClNO2
15

5-Amino-3,4-dimethylisoxazole, 99%

CAS: 19947-75-2 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00046081 InChI Key: PYNDWPFZDQONDV-UHFFFAOYSA-N Synonym: 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660 PubChem CID: 88317 IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine SMILES: CC1=C(ON=C1C)N

PubChem CID 88317
CAS 19947-75-2
Molecular Weight (g/mol) 112.132
MDL Number MFCD00046081
SMILES CC1=C(ON=C1C)N
Synonym 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660
IUPAC Name 3,4-dimethyl-1,2-oxazol-5-amine
InChI Key PYNDWPFZDQONDV-UHFFFAOYSA-N
Molecular Formula C5H8N2O