1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one

C21H22N4O2 — CID 91916902

IUPAC1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(-c3nccc4ccccc34)n2)CN1C1CCCCC1
InChIInChI=1S/C21H22N4O2/c26-18-12-15(13-25(18)16-7-2-1-3-8-16)20-23-21(27-24-20)19-17-9-5-4-6-14(17)10-11-22-19/h4-6,9-11,15-16H,1-3,7-8,12-13H2
InChIKeyNOTIQAJIYSRVHR-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.93
Rot. Bonds3

About 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one

1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (PubChem CID 91916902) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
PubChem CID91916902
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(-c3nccc4ccccc34)n2)CN1C1CCCCC1
InChIInChI=1S/C21H22N4O2/c26-18-12-15(13-25(18)16-7-2-1-3-8-16)20-23-21(27-24-20)19-17-9-5-4-6-14(17)10-11-22-19/h4-6,9-11,15-16H,1-3,7-8,12-13H2
InChIKeyNOTIQAJIYSRVHR-UHFFFAOYSA-N
XLogP3.93
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916927
4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 91906748
(4S)-1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746330
(4S)-1-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99768582
(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746311
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97433577
(4R)-1-cyclohexyl-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746263
(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one
CID 129452872
(4S)-1-cyclohexyl-4-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746308
1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 154782347
4-[5-(3-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]-1-cyclopropylpyrrolidin-2-one
CID 146135279
(4S)-1-cyclohexyl-4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746254

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (CID 91916902) is 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is O=C1CC(c2noc(-c3nccc4ccccc34)n2)CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The InChIKey is NOTIQAJIYSRVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-18-12-15(13-25(18)16-7-2-1-3-8-16)20-23-21(27-24-20)19-17-9-5-4-6-14(17)10-11-22-19/h4-6,9-11,15-16H,1-3,7-8,12-13H2.
What are the key properties of 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one has a molecular weight of 362.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 91916902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).