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

C19H16ClN3O3 — CID 42586088

IUPAC(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCOc1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1
InChIInChI=1S/C19H16ClN3O3/c1-25-16-7-5-12(6-8-16)18-21-19(26-22-18)13-9-17(24)23(11-13)15-4-2-3-14(20)10-15/h2-8,10,13H,9,11H2,1H3/t13-/m1/s1
InChIKeyCPTNRRZTPLZGTH-CYBMUJFWSA-N
MW369.81 g/mol
LogP3.92
Rot. Bonds4

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

(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 42586088) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is (4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID42586088
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCOc1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1
InChIInChI=1S/C19H16ClN3O3/c1-25-16-7-5-12(6-8-16)18-21-19(26-22-18)13-9-17(24)23(11-13)15-4-2-3-14(20)10-15/h2-8,10,13H,9,11H2,1H3/t13-/m1/s1
InChIKeyCPTNRRZTPLZGTH-CYBMUJFWSA-N
XLogP3.92
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
(4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492744
(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
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 16955961
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
1-(4-methoxyphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16955954
(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97043823
(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
6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
CID 53065679

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 42586088) is (4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is COc1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1.
What is the InChIKey of (4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is CPTNRRZTPLZGTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-25-16-7-5-12(6-8-16)18-21-19(26-22-18)13-9-17(24)23(11-13)15-4-2-3-14(20)10-15/h2-8,10,13H,9,11H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 369.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 42586088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).