1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C18H20N6O2 — CID 53009456

IUPAC1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCn1nnc2cc(-c3noc(C4CC(=O)N(C5CCCC5)C4)n3)ccc21
InChIInChI=1S/C18H20N6O2/c1-23-15-7-6-11(8-14(15)20-22-23)17-19-18(26-21-17)12-9-16(25)24(10-12)13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3
InChIKeyIRKSWZTVSLHFOP-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.28
Rot. Bonds3

About 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 53009456) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID53009456
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCn1nnc2cc(-c3noc(C4CC(=O)N(C5CCCC5)C4)n3)ccc21
InChIInChI=1S/C18H20N6O2/c1-23-15-7-6-11(8-14(15)20-22-23)17-19-18(26-21-17)12-9-16(25)24(10-12)13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3
InChIKeyIRKSWZTVSLHFOP-UHFFFAOYSA-N
XLogP2.28
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93070146
(4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95075916
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
CID 72879147
1-(4-methylphenyl)-4-[3-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)benzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 53121393
1,3-dimethyl-6-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067702
(4R)-1-(3-chlorophenyl)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95075917
1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 53003958
6-[5-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methylquinoxalin-2-one
CID 95067745
3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065864
1-(3,4-dimethoxyphenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955942
(4S)-1-phenyl-4-[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95075912
(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one
CID 129452872

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 53009456) is 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is Cn1nnc2cc(-c3noc(C4CC(=O)N(C5CCCC5)C4)n3)ccc21.
What is the InChIKey of 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is IRKSWZTVSLHFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23-15-7-6-11(8-14(15)20-22-23)17-19-18(26-21-17)12-9-16(25)24(10-12)13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3.
What are the key properties of 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 352.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 53009456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).