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

C21H20N4O3 — CID 92746342

IUPAC(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4noc(C)n4)c3)CC2=O)cc1
InChIInChI=1S/C21H20N4O3/c1-13-6-8-18(9-7-13)25-12-16(11-19(25)26)21(27)23-17-5-3-4-15(10-17)20-22-14(2)28-24-20/h3-10,16H,11-12H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyGECRFFNJDJZPCK-INIZCTEOSA-N
MW376.42 g/mol
LogP3.35
Rot. Bonds4

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

(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 92746342) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID92746342
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4noc(C)n4)c3)CC2=O)cc1
InChIInChI=1S/C21H20N4O3/c1-13-6-8-18(9-7-13)25-12-16(11-19(25)26)21(27)23-17-5-3-4-15(10-17)20-22-14(2)28-24-20/h3-10,16H,11-12H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyGECRFFNJDJZPCK-INIZCTEOSA-N
XLogP3.35
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46292736
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
(3S)-N-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746374
(3R)-N-(3,4-dimethylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746662
(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92703522
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46321739
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
N-(2-chlorophenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321750
N-(3-chloro-2-methylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321718
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746813
(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723646
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 92746342) is (3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4noc(C)n4)c3)CC2=O)cc1.
What is the InChIKey of (3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GECRFFNJDJZPCK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-6-8-18(9-7-13)25-12-16(11-19(25)26)21(27)23-17-5-3-4-15(10-17)20-22-14(2)28-24-20/h3-10,16H,11-12H2,1-2H3,(H,23,27)/t16-/m0/s1.
What are the key properties of (3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92746342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).