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

C19H16ClN3O2 — CID 93492759

IUPAC(4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCc1ccccc1-c1noc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H16ClN3O2/c1-12-4-2-3-5-16(12)18-21-19(25-22-18)13-10-17(24)23(11-13)15-8-6-14(20)7-9-15/h2-9,13H,10-11H2,1H3/t13-/m0/s1
InChIKeySXCRZVWPFXJUMK-ZDUSSCGKSA-N
MW353.81 g/mol
LogP4.22
Rot. Bonds3

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

(4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 93492759) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is (4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID93492759
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name(4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCc1ccccc1-c1noc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H16ClN3O2/c1-12-4-2-3-5-16(12)18-21-19(25-22-18)13-10-17(24)23(11-13)15-8-6-14(20)7-9-15/h2-9,13H,10-11H2,1H3/t13-/m0/s1
InChIKeySXCRZVWPFXJUMK-ZDUSSCGKSA-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

(4S)-1-(4-methoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015022
1-(3,4-dimethoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955931
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 16956788
(4R)-1-(4-chlorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51896227
1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16956772
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955900
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 41015202
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
(4S)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 41014966
(4S)-4-[3-[4-(4-chlorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 92880397
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 93492759) is (4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is Cc1ccccc1-c1noc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of (4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is SXCRZVWPFXJUMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-4-2-3-5-16(12)18-21-19(25-22-18)13-10-17(24)23(11-13)15-8-6-14(20)7-9-15/h2-9,13H,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
(4S)-1-(4-chlorophenyl)-4-[3-(2-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 (4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 93492759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).