(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one

C15H17N3O2 — CID 125137770

IUPAC(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCCc1ccccc1-c1noc([C@@H]2CC(=O)N(C)C2)n1
InChIInChI=1S/C15H17N3O2/c1-3-10-6-4-5-7-12(10)14-16-15(20-17-14)11-8-13(19)18(2)9-11/h4-7,11H,3,8-9H2,1-2H3/t11-/m1/s1
InChIKeyWOMUVZQDALVJRR-LLVKDONJSA-N
MW271.32 g/mol
LogP2.24
Rot. Bonds3

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

(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one (PubChem CID 125137770) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
PubChem CID125137770
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCCc1ccccc1-c1noc([C@@H]2CC(=O)N(C)C2)n1
InChIInChI=1S/C15H17N3O2/c1-3-10-6-4-5-7-12(10)14-16-15(20-17-14)11-8-13(19)18(2)9-11/h4-7,11H,3,8-9H2,1-2H3/t11-/m1/s1
InChIKeyWOMUVZQDALVJRR-LLVKDONJSA-N
XLogP2.24
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 125137757
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one
CID 99130333
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 99130341
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
(4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492759
(4S)-1-(4-methoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015022
1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16956772
(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 129471642
4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 53083529
(4S)-4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 95072037
1-(3,4-dimethoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955931

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one (CID 125137770) is (4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one is CCc1ccccc1-c1noc([C@@H]2CC(=O)N(C)C2)n1.
What is the InChIKey of (4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one?
The InChIKey is WOMUVZQDALVJRR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-10-6-4-5-7-12(10)14-16-15(20-17-14)11-8-13(19)18(2)9-11/h4-7,11H,3,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one?
(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 125137770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).