(4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one

C20H19N3O4 — CID 40775412

IUPAC(4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESCOc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)c(OC)c1
InChIInChI=1S/C20H19N3O4/c1-25-15-8-9-16(17(11-15)26-2)19-21-20(27-22-19)13-10-18(24)23(12-13)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3/t13-/m1/s1
InChIKeyKABQOCPPPQZOEO-CYBMUJFWSA-N
MW365.39 g/mol
LogP3.27
Rot. Bonds5

About (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one

(4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (PubChem CID 40775412) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
PubChem CID40775412
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESCOc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)c(OC)c1
InChIInChI=1S/C20H19N3O4/c1-25-15-8-9-16(17(11-15)26-2)19-21-20(27-22-19)13-10-18(24)23(12-13)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3/t13-/m1/s1
InChIKeyKABQOCPPPQZOEO-CYBMUJFWSA-N
XLogP3.27
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 41015081
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 16955996
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 53083530
(4S)-1-(4-methoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015022
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955900
1-(3,4-dimethoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955931
4-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 121096653
(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015060
1-(4-methoxyphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16955954
1-(3,4-dimethoxyphenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955942
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586088
(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 (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (CID 40775412) is (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)c(OC)c1.
What is the InChIKey of (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is KABQOCPPPQZOEO-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-15-8-9-16(17(11-15)26-2)19-21-20(27-22-19)13-10-18(24)23(12-13)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
(4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 365.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 40775412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).