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

C19H16ClN3O2 — CID 25145895

IUPAC4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1
InChIInChI=1S/C19H16ClN3O2/c1-12-5-7-16(8-6-12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-3-2-4-15(20)9-13/h2-9,14H,10-11H2,1H3
InChIKeyDJZLJDGUYAGQIY-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.22
Rot. Bonds3

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

4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 25145895) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID25145895
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1
InChIInChI=1S/C19H16ClN3O2/c1-12-5-7-16(8-6-12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-3-2-4-15(20)9-13/h2-9,14H,10-11H2,1H3
InChIKeyDJZLJDGUYAGQIY-UHFFFAOYSA-N
XLogP4.22
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 44091571
N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3236292
1-Phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 6457595
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylpropanamide
CID 16193185
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
4-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 16956789
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 25145895) is 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1.
What is the InChIKey of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is DJZLJDGUYAGQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-5-7-16(8-6-12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-3-2-4-15(20)9-13/h2-9,14H,10-11H2,1H3.
What are the key properties of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 353.81 g/mol, XLogP of 4.22, 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-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 25145895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).