N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide

C16H18ClN3O2 — CID 46128965

IUPACN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C16H18ClN3O2/c1-10(18-15(21)11-5-2-3-6-11)16-19-14(20-22-16)12-7-4-8-13(17)9-12/h4,7-11H,2-3,5-6H2,1H3,(H,18,21)
InChIKeyPLXNGCYHOZCTGO-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.76
Rot. Bonds4

About N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide

N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide (PubChem CID 46128965) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
PubChem CID46128965
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C16H18ClN3O2/c1-10(18-15(21)11-5-2-3-6-11)16-19-14(20-22-16)12-7-4-8-13(17)9-12/h4,7-11H,2-3,5-6H2,1H3,(H,18,21)
InChIKeyPLXNGCYHOZCTGO-UHFFFAOYSA-N
XLogP3.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 83280920
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644
N-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635714
N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 120893433
4-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673982
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 167524017
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 46128953
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 164846779
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119342761
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43928072

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide (CID 46128965) is N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide is CC(NC(=O)C1CCCC1)c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is PLXNGCYHOZCTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10(18-15(21)11-5-2-3-6-11)16-19-14(20-22-16)12-7-4-8-13(17)9-12/h4,7-11H,2-3,5-6H2,1H3,(H,18,21).
What are the key properties of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide?
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 46128965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).