(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide

C20H25N3O3 — CID 67953364

IUPAC(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccc(N2C(=O)CC[C@H]2C(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C20H25N3O3/c1-5-13-6-8-14(9-7-13)23-15(10-11-18(23)24)19(25)21-17-12-16(22-26-17)20(2,3)4/h6-9,12,15H,5,10-11H2,1-4H3,(H,21,25)/t15-/m0/s1
InChIKeyUYXVHXMMNYYVSX-HNNXBMFYSA-N
MW355.44 g/mol
LogP3.67
Rot. Bonds4

About (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 67953364) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID67953364
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccc(N2C(=O)CC[C@H]2C(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C20H25N3O3/c1-5-13-6-8-14(9-7-13)23-15(10-11-18(23)24)19(25)21-17-12-16(22-26-17)20(2,3)4/h6-9,12,15H,5,10-11H2,1-4H3,(H,21,25)/t15-/m0/s1
InChIKeyUYXVHXMMNYYVSX-HNNXBMFYSA-N
XLogP3.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-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

N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 77437771
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953390
(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953379
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 77295214
(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46844062
(2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953420
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373944
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561
(3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide
CID 95985527
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide
CID 89054318
(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 31455747
(2S)-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 70876170

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 67953364) is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide is CCc1ccc(N2C(=O)CC[C@H]2C(=O)Nc2cc(C(C)(C)C)no2)cc1.
What is the InChIKey of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UYXVHXMMNYYVSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-13-6-8-14(9-7-13)23-15(10-11-18(23)24)19(25)21-17-12-16(22-26-17)20(2,3)4/h6-9,12,15H,5,10-11H2,1-4H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67953364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).