1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

C25H28N4O3 — CID 171141503

IUPAC1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(c3cccnc3)C(c3nc(C4CCCC4)no3)C2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-20-10-8-17(9-11-20)13-23(30)29-15-21(19-7-4-12-26-14-19)22(16-29)25-27-24(28-32-25)18-5-2-3-6-18/h4,7-12,14,18,21-22H,2-3,5-6,13,15-16H2,1H3
InChIKeyAIYDTKVEDSEESY-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.08
Rot. Bonds6

About 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 171141503) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID171141503
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(c3cccnc3)C(c3nc(C4CCCC4)no3)C2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-20-10-8-17(9-11-20)13-23(30)29-15-21(19-7-4-12-26-14-19)22(16-29)25-27-24(28-32-25)18-5-2-3-6-18/h4,7-12,14,18,21-22H,2-3,5-6,13,15-16H2,1H3
InChIKeyAIYDTKVEDSEESY-UHFFFAOYSA-N
XLogP4.08
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 171141512
1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 91921502
2-(4-methoxyphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121098540
1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 52509003
2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92595473
1-[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 110203015
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 53121854
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
(1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 171144465
2-(4-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124965599
2-(4-aminophenyl)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119818407

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 171141503) is 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CC(c3cccnc3)C(c3nc(C4CCCC4)no3)C2)cc1.
What is the InChIKey of 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is AIYDTKVEDSEESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-20-10-8-17(9-11-20)13-23(30)29-15-21(19-7-4-12-26-14-19)22(16-29)25-27-24(28-32-25)18-5-2-3-6-18/h4,7-12,14,18,21-22H,2-3,5-6,13,15-16H2,1H3.
What are the key properties of 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 432.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 171141503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).