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

C19H16ClN3O2 — CID 93492742

IUPAC(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1
InChIInChI=1S/C19H16ClN3O2/c1-12-5-7-13(8-6-12)18-21-19(25-22-18)14-9-17(24)23(11-14)16-4-2-3-15(20)10-16/h2-8,10,14H,9,11H2,1H3/t14-/m1/s1
InChIKeyWFGWNGYDGDJQNS-CQSZACIVSA-N
MW353.81 g/mol
LogP4.22
Rot. Bonds3

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

(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 93492742) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is (4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID93492742
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1
InChIInChI=1S/C19H16ClN3O2/c1-12-5-7-13(8-6-12)18-21-19(25-22-18)14-9-17(24)23(11-14)16-4-2-3-15(20)10-16/h2-8,10,14H,9,11H2,1H3/t14-/m1/s1
InChIKeyWFGWNGYDGDJQNS-CQSZACIVSA-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

(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586088
(4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492744
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 46378617
(4S)-1-(3-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586089
(4S)-1-(3-chlorophenyl)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95086857
(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97043823
6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
CID 53065679
6-[5-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methylquinoxalin-2-one
CID 95067745
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 93492742) is (4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1.
What is the InChIKey of (4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is WFGWNGYDGDJQNS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-5-7-13(8-6-12)18-21-19(25-22-18)14-9-17(24)23(11-14)16-4-2-3-15(20)10-16/h2-8,10,14H,9,11H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
(4R)-1-(3-chlorophenyl)-4-[3-(4-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 (4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 93492742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).