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

C19H16ClN3O2 — CID 16955911

IUPAC1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCc1cccc(-c2noc(C3CC(=O)N(c4ccc(Cl)cc4)C3)n2)c1
InChIInChI=1S/C19H16ClN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3
InChIKeyLVPHLJOFDQXTPL-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.22
Rot. Bonds3

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

1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 16955911) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID16955911
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCc1cccc(-c2noc(C3CC(=O)N(c4ccc(Cl)cc4)C3)n2)c1
InChIInChI=1S/C19H16ClN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3
InChIKeyLVPHLJOFDQXTPL-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-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide
CID 649642
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-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
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 16955911) is 1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is Cc1cccc(-c2noc(C3CC(=O)N(c4ccc(Cl)cc4)C3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is LVPHLJOFDQXTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]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 1-(4-chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 16955911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).