3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

C24H27N3O2 — CID 42883827

IUPAC3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESO=C(CCC1CCCC1)NC(Cc1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C24H27N3O2/c28-22(16-15-18-9-7-8-10-18)25-21(17-19-11-3-1-4-12-19)24-26-23(27-29-24)20-13-5-2-6-14-20/h1-6,11-14,18,21H,7-10,15-17H2,(H,25,28)
InChIKeyYOIRUDAEAYHQHQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.11
Rot. Bonds8

About 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 42883827) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID42883827
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESO=C(CCC1CCCC1)NC(Cc1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C24H27N3O2/c28-22(16-15-18-9-7-8-10-18)25-21(17-19-11-3-1-4-12-19)24-26-23(27-29-24)20-13-5-2-6-14-20/h1-6,11-14,18,21H,7-10,15-17H2,(H,25,28)
InChIKeyYOIRUDAEAYHQHQ-UHFFFAOYSA-N
XLogP5.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 25472911
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide
CID 83284501
tert-butyl N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]carbamate
CID 74510096
6-amino-N-[1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]hexanamide
CID 42792330
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide
CID 42797745
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenylmethoxyacetamide
CID 42797778
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
2-(4-chlorophenoxy)-N-[(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
CID 93117442
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-4-(trifluoromethyl)benzamide
CID 93117435
(E)-N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylprop-2-enamide
CID 97413897

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 42883827) is 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is O=C(CCC1CCCC1)NC(Cc1ccccc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is YOIRUDAEAYHQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-22(16-15-18-9-7-8-10-18)25-21(17-19-11-3-1-4-12-19)24-26-23(27-29-24)20-13-5-2-6-14-20/h1-6,11-14,18,21H,7-10,15-17H2,(H,25,28).
What are the key properties of 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 42883827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).