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Azolidines

Organic heterocyclic compounds that consist of a five-membered ring made up of four carbon atoms and one nitrogen atom with molecular formula: C4H9N.

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1

(S)-4-Phenyl-2-oxazolidinone, TRC

CAS: 99395-88-7 Molecular Formula: C9 H9 N O2 Molecular Weight (g/mol): 163.1733 Synonym: 2-Oxazolidinone, 4-phenyl-, (4S)-,2-Oxazolidinone, 4-phenyl-, (S)-,(+)-4-Phenyl-2-oxazolidinone,(4S)-4-Phenyl-1,3-oxazolidin-2-one,(4S)-4-Phenyl-2-oxazolidinone,(4S)-4-Phenyloxazolidin-2-one,(S)-(+)-4-Phenyl-2-oxazolidinone,(S)-4-Phenyl-1,3-oxazolidin-2-one,(S)-4-Phenyl-2-oxazolidinone,(S)-POZ,(S)-POZ IUPAC Name: (4S)-4-phenyl-1,3-oxazolidin-2-one SMILES: O=C1N[C@H](CO1)c2ccccc2

CAS 99395-88-7
Molecular Weight (g/mol) 163.1733
SMILES O=C1N[C@H](CO1)c2ccccc2
Synonym 2-Oxazolidinone, 4-phenyl-, (4S)-,2-Oxazolidinone, 4-phenyl-, (S)-,(+)-4-Phenyl-2-oxazolidinone,(4S)-4-Phenyl-1,3-oxazolidin-2-one,(4S)-4-Phenyl-2-oxazolidinone,(4S)-4-Phenyloxazolidin-2-one,(S)-(+)-4-Phenyl-2-oxazolidinone,(S)-4-Phenyl-1,3-oxazolidin-2-one,(S)-4-Phenyl-2-oxazolidinone,(S)-POZ,(S)-POZ
IUPAC Name (4S)-4-phenyl-1,3-oxazolidin-2-one
Molecular Formula C9 H9 N O2
2

3-Phenyl-2-oxazolidinone, TRC

CAS: 703-56-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.17 IUPAC Name: 3-phenyl-1,3-oxazolidin-2-one SMILES: O=C1OCCN1c2ccccc2

CAS 703-56-0
Molecular Weight (g/mol) 163.17
SMILES O=C1OCCN1c2ccccc2
IUPAC Name 3-phenyl-1,3-oxazolidin-2-one
Molecular Formula C9H9NO2
3

(4R,5R)-4-Methyl-5-phenyl-2-oxazolidinone, TRC

CAS: 125133-96-2 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.2 Synonym: (4R-trans)-4-Methyl-5-phenyl-2-oxazolidinone,(4R,5R)-4-Methyl-5-phenyloxazolidin-2-one IUPAC Name: (4R,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one SMILES: C[C@H]1NC(=O)O[C@@H]1c2ccccc2

CAS 125133-96-2
Molecular Weight (g/mol) 177.2
SMILES C[C@H]1NC(=O)O[C@@H]1c2ccccc2
Synonym (4R-trans)-4-Methyl-5-phenyl-2-oxazolidinone,(4R,5R)-4-Methyl-5-phenyloxazolidin-2-one
IUPAC Name (4R,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
Molecular Formula C10H11NO2
4

4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluorobenzamide, TRC

CAS: 1242137-16-1 Molecular Formula: C20 H14 F4 N4 O2 S Molecular Weight (g/mol): 450.41 Synonym: 4-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl)-2-fluorobenzamide IUPAC Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzamide SMILES: CC1(C)N(C(=S)N(C1=O)c2ccc(C#N)c(c2)C(F)(F)F)c3ccc(C(=O)N)c(F)c3

CAS 1242137-16-1
Molecular Weight (g/mol) 450.41
SMILES CC1(C)N(C(=S)N(C1=O)c2ccc(C#N)c(c2)C(F)(F)F)c3ccc(C(=O)N)c(F)c3
Synonym 4-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl)-2-fluorobenzamide
IUPAC Name 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzamide
Molecular Formula C20 H14 F4 N4 O2 S
5

3-Phenylhydantoin, 95%

CAS: 2221-13-8 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.18 MDL Number: MFCD00209486 InChI Key: RUEGAVIENIPHGK-UHFFFAOYSA-N PubChem CID: 227930 IUPAC Name: 3-phenylimidazolidine-2,4-dione SMILES: O=C1CNC(=O)N1C1=CC=CC=C1

PubChem CID 227930
CAS 2221-13-8
Molecular Weight (g/mol) 176.18
MDL Number MFCD00209486
SMILES O=C1CNC(=O)N1C1=CC=CC=C1
IUPAC Name 3-phenylimidazolidine-2,4-dione
InChI Key RUEGAVIENIPHGK-UHFFFAOYSA-N
Molecular Formula C9H8N2O2
6

N-Phenylrhodanine, 97+%, Thermo Scientific™

CAS: 1457-46-1 Molecular Formula: C9H7NOS2 Molecular Weight (g/mol): 209.29 MDL Number: MFCD00100196 InChI Key: DVRWEKGUWZINTQ-UHFFFAOYSA-N Synonym: 3-phenylrhodanine,n-phenylrhodanine,3-phenylrhodanin,rhodanine, 3-phenyl,4-thiazolidinone, 3-phenyl-2-thioxo,3-phenylrodanin,n-phenyl-rhodanine,3-phenyl-2-thioxo-1,3-thiazolidin-4-one,3-phenyl-2-thioxo-thiazolidin-4-one,3-phenyl-rhodanin german PubChem CID: 73822 IUPAC Name: 3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one SMILES: C1C(=O)N(C(=S)S1)C2=CC=CC=C2

PubChem CID 73822
CAS 1457-46-1
Molecular Weight (g/mol) 209.29
MDL Number MFCD00100196
SMILES C1C(=O)N(C(=S)S1)C2=CC=CC=C2
Synonym 3-phenylrhodanine,n-phenylrhodanine,3-phenylrhodanin,rhodanine, 3-phenyl,4-thiazolidinone, 3-phenyl-2-thioxo,3-phenylrodanin,n-phenyl-rhodanine,3-phenyl-2-thioxo-1,3-thiazolidin-4-one,3-phenyl-2-thioxo-thiazolidin-4-one,3-phenyl-rhodanin german
IUPAC Name 3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI Key DVRWEKGUWZINTQ-UHFFFAOYSA-N
Molecular Formula C9H7NOS2
7

5-Phenyloxazolidine-2,4-dione, TRC

CAS: 5841-63-4 Molecular Formula: C9 H7 N O3 Molecular Weight (g/mol): 177.16 Synonym: 5-Phenyl-2,4-oxazolidinedione,2-Oxo-5-phenyl-4-oxazolidinone,5-Phenyl-2,4-dioxooxazolidine,5-Phenyloxazolidinedione,NSC 27303 IUPAC Name: 5-phenyl-1,3-oxazolidine-2,4-dione SMILES: O=C1NC(=O)C(O1)c2ccccc2

CAS 5841-63-4
Molecular Weight (g/mol) 177.16
SMILES O=C1NC(=O)C(O1)c2ccccc2
Synonym 5-Phenyl-2,4-oxazolidinedione,2-Oxo-5-phenyl-4-oxazolidinone,5-Phenyl-2,4-dioxooxazolidine,5-Phenyloxazolidinedione,NSC 27303
IUPAC Name 5-phenyl-1,3-oxazolidine-2,4-dione
Molecular Formula C9 H7 N O3
8

GSK 789472 Hydrochloride, TRC

CAS: 1257326-24-1 Molecular Formula: C15H21N3O . HCl Molecular Weight (g/mol): 295.81 Synonym: GSK 789472 Hydrochloride,1-Phenyl-3-(2-piperidinylmethyl)-2-imidazolidinone Hydrochloride; IUPAC Name: 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one;hydrochloride SMILES: Cl.O=C1N(CC2CCCCN2)CCN1c3ccccc3

CAS 1257326-24-1
Molecular Weight (g/mol) 295.81
SMILES Cl.O=C1N(CC2CCCCN2)CCN1c3ccccc3
Synonym GSK 789472 Hydrochloride,1-Phenyl-3-(2-piperidinylmethyl)-2-imidazolidinone Hydrochloride;
IUPAC Name 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one;hydrochloride
Molecular Formula C15H21N3O . HCl
9

rac-Mephenytoin, TRC

CAS: 50-12-4 Molecular Formula: C12 H14 N2 O2 Molecular Weight (g/mol): 218.25 Synonym: Mephenytoin,2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-Hydantoin, 5-ethyl-3-methyl-5-phenyl- (6CI,7CI,8CI),(±)-5-Ethyl-3-methyl-5-phenylhydantoin,(±)-Mephenytoin,(±)-Mesantoin,3-Ethylnirvanol,3-Methyl-5-ethyl-5-phenyl-2,4-imidazolidinedione,3-Methyl-5-ethyl-5-phenylhydantoin,5-Ethyl-3-methyl-5-phenyl-2,4(3H,5H)-imidazoledione,5-Ethyl-3-methyl-5-phenylhydantoin,5-Ethyl-3-methyl-5-phenylimidazolidin-2,4-dione,DL-Mephenytoin,Epiazin,Epilan,Fenantoin,Gerot-Epilan,Insulton,Mephenytoin,Mesantoin,Mesdontoin,Mesontoin,Methoin,Methylphenetoin,Metydan,NSC 34652,Phenantoin,Phenylethylmethylhydantoin,Sacerno,Sedantional,Sedantoin,Triantoin IUPAC Name: 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione SMILES: CCC1(NC(=O)N(C)C1=O)c2ccccc2

CAS 50-12-4
Molecular Weight (g/mol) 218.25
SMILES CCC1(NC(=O)N(C)C1=O)c2ccccc2
Synonym Mephenytoin,2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-Hydantoin, 5-ethyl-3-methyl-5-phenyl- (6CI,7CI,8CI),(±)-5-Ethyl-3-methyl-5-phenylhydantoin,(±)-Mephenytoin,(±)-Mesantoin,3-Ethylnirvanol,3-Methyl-5-ethyl-5-phenyl-2,4-imidazolidinedione,3-Methyl-5-ethyl-5-phenylhydantoin,5-Ethyl-3-methyl-5-phenyl-2,4(3H,5H)-imidazoledione,5-Ethyl-3-methyl-5-phenylhydantoin,5-Ethyl-3-methyl-5-phenylimidazolidin-2,4-dione,DL-Mephenytoin,Epiazin,Epilan,Fenantoin,Gerot-Epilan,Insulton,Mephenytoin,Mesantoin,Mesdontoin,Mesontoin,Methoin,Methylphenetoin,Metydan,NSC 34652,Phenantoin,Phenylethylmethylhydantoin,Sacerno,Sedantional,Sedantoin,Triantoin
IUPAC Name 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione
Molecular Formula C12 H14 N2 O2
10

1,3-bis(2,4,6-trimethylphenyl)imidazolidinium chloride, 97%

CAS: 173035-10-4 Molecular Formula: C21H27ClN2 Molecular Weight (g/mol): 342.91 MDL Number: MFCD09039279 InChI Key: COGMCBFILULEOS-UHFFFAOYSA-M Synonym: 1,3-dimesitylimidazolidine hydrochloride,1,3-bis 2,4,6-trimethylphenyl-imidazolidinium-chloride,1,3-dimesitylimidazolidine, chloride salt,1,3-bis-2,4,6-trimethyl-phenyl-imidazolidin-1-ium chloride,1,3-bis 2,4,6-trimethylphenyl imidazolidine hydrochloride IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride SMILES: [Cl-].CC1=CC(C)=C(N2CC[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1

CAS 173035-10-4
Molecular Weight (g/mol) 342.91
MDL Number MFCD09039279
SMILES [Cl-].CC1=CC(C)=C(N2CC[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
Synonym 1,3-dimesitylimidazolidine hydrochloride,1,3-bis 2,4,6-trimethylphenyl-imidazolidinium-chloride,1,3-dimesitylimidazolidine, chloride salt,1,3-bis-2,4,6-trimethyl-phenyl-imidazolidin-1-ium chloride,1,3-bis 2,4,6-trimethylphenyl imidazolidine hydrochloride
IUPAC Name 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride
InChI Key COGMCBFILULEOS-UHFFFAOYSA-M
Molecular Formula C21H27ClN2
11

Nilutamide, TRC

CAS: 63612-50-0 Molecular Formula: C12 H10 F3 N3 O4 Molecular Weight (g/mol): 317.22 Synonym: Nilutamide,5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione IUPAC Name: 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione SMILES: CC1(C)NC(=O)N(C1=O)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-]

CAS 63612-50-0
Molecular Weight (g/mol) 317.22
SMILES CC1(C)NC(=O)N(C1=O)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-]
Synonym Nilutamide,5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
IUPAC Name 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
Molecular Formula C12 H10 F3 N3 O4
12

Enzalutamide Carboxylic Acid, TRC

CAS: 1242137-15-0 Molecular Formula: C20H13F4N3O3S Molecular Weight (g/mol): 451.39 Synonym: 4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-benzoic Acid SMILES: O=C(O)C1=CC=C(N(C(N2C3=CC=C(C#N)C(C(F)(F)F)=C3)=S)C(C)(C)C2=O)C=C1F

CAS 1242137-15-0
Molecular Weight (g/mol) 451.39
SMILES O=C(O)C1=CC=C(N(C(N2C3=CC=C(C#N)C(C(F)(F)F)=C3)=S)C(C)(C)C2=O)C=C1F
Synonym 4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-benzoic Acid
Molecular Formula C20H13F4N3O3S
13

GLPG-0492, TRC

CAS: 1215085-92-9 Molecular Formula: C19H14F3N3O3 Molecular Weight (g/mol): 389.33 Synonym: 4-[(4S)-4-(Hydroxymethyl)-3-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[(4S)-4-(hydroxymethyl)-3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile SMILES: CN1C(=O)N(C2=CC(=C(C=C2)C#N)C(F)(F)F)C(=O)[C@@]1(CO)C3=CC=CC=C3

CAS 1215085-92-9
Molecular Weight (g/mol) 389.33
SMILES CN1C(=O)N(C2=CC(=C(C=C2)C#N)C(F)(F)F)C(=O)[C@@]1(CO)C3=CC=CC=C3
Synonym 4-[(4S)-4-(Hydroxymethyl)-3-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile
IUPAC Name 4-[(4S)-4-(hydroxymethyl)-3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Molecular Formula C19H14F3N3O3
15

5-(4-Methylphenyl)-5-phenylhydantoin, 99+%, Thermo Scientific™

CAS: 51169-17-6 Molecular Formula: C16H14N2O2 Molecular Weight (g/mol): 266.29 MDL Number: MFCD00005263 InChI Key: WPAPSGQWYNPWCZ-UHFFFAOYSA-N Synonym: 5-p-methylphenyl-5-phenylhydantoin,5-phenyl-5-p-tolyl hydantoin,5-phenyl-5-4-tolyl hydantoin,5-4-methylphenyl-5-phenylimidazolidine-2,4-dione,5-4-methylphenyl-5-phenyl-2,4-imidazolidinedione,5-p-tolyl-5-phenylhydantoin,5-phenyl-5-p-tolyl imidazolidine-2,4-dione,2,4-imidazolidinedione, 5-4-methylphenyl-5-phenyl,5-4-methylphenyl-5-phenylhydantoin,5-4-methylphenyl-5-phenyl hydantoin PubChem CID: 92334 IUPAC Name: 5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione SMILES: CC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

PubChem CID 92334
CAS 51169-17-6
Molecular Weight (g/mol) 266.29
MDL Number MFCD00005263
SMILES CC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
Synonym 5-p-methylphenyl-5-phenylhydantoin,5-phenyl-5-p-tolyl hydantoin,5-phenyl-5-4-tolyl hydantoin,5-4-methylphenyl-5-phenylimidazolidine-2,4-dione,5-4-methylphenyl-5-phenyl-2,4-imidazolidinedione,5-p-tolyl-5-phenylhydantoin,5-phenyl-5-p-tolyl imidazolidine-2,4-dione,2,4-imidazolidinedione, 5-4-methylphenyl-5-phenyl,5-4-methylphenyl-5-phenylhydantoin,5-4-methylphenyl-5-phenyl hydantoin
IUPAC Name 5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione
InChI Key WPAPSGQWYNPWCZ-UHFFFAOYSA-N
Molecular Formula C16H14N2O2