(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H22N4O3 — CID 93064680

IUPAC(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)n1
InChIInChI=1S/C22H22N4O3/c1-3-19-24-22(29-25-19)15-8-10-17(11-9-15)23-21(28)16-12-20(27)26(13-16)18-7-5-4-6-14(18)2/h4-11,16H,3,12-13H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyFFFCJWSHXDFIRU-INIZCTEOSA-N
MW390.44 g/mol
LogP3.60
Rot. Bonds5

About (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 93064680) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID93064680
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)n1
InChIInChI=1S/C22H22N4O3/c1-3-19-24-22(29-25-19)15-8-10-17(11-9-15)23-21(28)16-12-20(27)26(13-16)18-7-5-4-6-14(18)2/h4-11,16H,3,12-13H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyFFFCJWSHXDFIRU-INIZCTEOSA-N
XLogP3.60
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-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

(3R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736436
1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50747767
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 124529053
(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 94081056
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736380
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 93064680) is (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)n1.
What is the InChIKey of (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FFFCJWSHXDFIRU-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-19-24-22(29-25-19)15-8-10-17(11-9-15)23-21(28)16-12-20(27)26(13-16)18-7-5-4-6-14(18)2/h4-11,16H,3,12-13H2,1-2H3,(H,23,28)/t16-/m0/s1.
What are the key properties of (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93064680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).