(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide

C19H22ClN3O4 — CID 67953379

IUPAC(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCOCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H22ClN3O4/c1-19(2,11-26-3)15-10-16(27-22-15)21-18(25)14-8-9-17(24)23(14)13-6-4-12(20)5-7-13/h4-7,10,14H,8-9,11H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyWPIGIERPAGBGTH-AWEZNQCLSA-N
MW391.86 g/mol
LogP3.39
Rot. Bonds6

About (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 67953379) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID67953379
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCOCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H22ClN3O4/c1-19(2,11-26-3)15-10-16(27-22-15)21-18(25)14-8-9-17(24)23(14)13-6-4-12(20)5-7-13/h4-7,10,14H,8-9,11H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyWPIGIERPAGBGTH-AWEZNQCLSA-N
XLogP3.39
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 46843431
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953246
(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 67953263
(S)-5-oxo-1-(4-trifluoromethyl-phenyl)-pyrrolidine-2-carboxylic acid [3-(2-hydroxy-1,1-dimethyl-ethyl)-isoxazol-5-yl]-amide
CID 67953418
(2S)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953425
(2S)-1-(4-fluorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide
CID 49848312
N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67456489
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953344
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953348
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(2,3-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953385
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953388
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953390

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide (CID 67953379) is (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide is COCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)on1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WPIGIERPAGBGTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-19(2,11-26-3)15-10-16(27-22-15)21-18(25)14-8-9-17(24)23(14)13-6-4-12(20)5-7-13/h4-7,10,14H,8-9,11H2,1-3H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67953379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).