4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

C20H18ClN3O2 — CID 16956789

IUPAC4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1C
InChIInChI=1S/C20H18ClN3O2/c1-12-6-7-17(8-13(12)2)24-11-15(10-18(24)25)20-22-19(23-26-20)14-4-3-5-16(21)9-14/h3-9,15H,10-11H2,1-2H3
InChIKeyGXCPDQPSBLIMLF-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.53
Rot. Bonds3

About 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 16956789) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID16956789
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1C
InChIInChI=1S/C20H18ClN3O2/c1-12-6-7-17(8-13(12)2)24-11-15(10-18(24)25)20-22-19(23-26-20)14-4-3-5-16(21)9-14/h3-9,15H,10-11H2,1-2H3
InChIKeyGXCPDQPSBLIMLF-UHFFFAOYSA-N
XLogP4.53
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one 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

1-(4-Chlorophenyl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 44091571
1-Phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 6457595
1-(4-Chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955911
1-(4-Fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16955920
4-(3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 16955923
1-(3-Chloro-4-methylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955975
1-(4-Fluorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16956771
3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(4-isopropylphenyl)propanamide
CID 25033942
1-(4-Methylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 25145894
4-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 25145895
3-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2,5-dimethylphenyl)piperazino]propan-1-one
CID 42596903
3-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2,5-dimethylphenyl)piperazino]propan-1-one
CID 42596910

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (CID 16956789) is 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1C.
What is the InChIKey of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is GXCPDQPSBLIMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-6-7-17(8-13(12)2)24-11-15(10-18(24)25)20-22-19(23-26-20)14-4-3-5-16(21)9-14/h3-9,15H,10-11H2,1-2H3.
What are the key properties of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 367.84 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 16956789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).