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

C17H21N3O3 — CID 866890

IUPACN-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C17H21N3O3/c1-22-14-8-6-12(7-9-14)17-19-16(23-20-17)11-10-15(21)18-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,18,21)
InChIKeyHJZRKXSXRMNHLG-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.74
Rot. Bonds6

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

N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 866890) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID866890
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C17H21N3O3/c1-22-14-8-6-12(7-9-14)17-19-16(23-20-17)11-10-15(21)18-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,18,21)
InChIKeyHJZRKXSXRMNHLG-UHFFFAOYSA-N
XLogP2.74
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 689155
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1839545
N-cyclopentyl-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1848627
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 3159490
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3710985
N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15992673
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-propionamide
CID 44373760
3-(3-Cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 45273252
(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512034
(E)-2-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512036
(Z)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369026

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 866890) is N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is HJZRKXSXRMNHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-14-8-6-12(7-9-14)17-19-16(23-20-17)11-10-15(21)18-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,18,21).
What are the key properties of N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 315.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 866890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).