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

C18H22ClN3O2 — CID 2234500

IUPAC4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide
SMILESO=C(CCCc1nc(-c2ccccc2Cl)no1)NC1CCCCC1
InChIInChI=1S/C18H22ClN3O2/c19-15-10-5-4-9-14(15)18-21-17(24-22-18)12-6-11-16(23)20-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,20,23)
InChIKeyRGCSZWHSHQEZPM-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.16
Rot. Bonds6

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

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide (PubChem CID 2234500) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide
PubChem CID2234500
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide
SMILESO=C(CCCc1nc(-c2ccccc2Cl)no1)NC1CCCCC1
InChIInChI=1S/C18H22ClN3O2/c19-15-10-5-4-9-14(15)18-21-17(24-22-18)12-6-11-16(23)20-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,20,23)
InChIKeyRGCSZWHSHQEZPM-UHFFFAOYSA-N
XLogP4.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)butan-1-one
CID 1852407
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
CID 1860472
N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2983721
N-cyclopentyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 3160269
N-cyclohexyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160344
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
CID 1250477
N-Adamantan-2-yl-4-[3-(4-chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-3,3-dimethyl-butyramide
CID 24948362
(S)-(3-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)(cyclobutyl)methanone
CID 812500
N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2006214
4-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2033173
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
CID 2234663
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide
CID 3160288

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide (CID 2234500) is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide is O=C(CCCc1nc(-c2ccccc2Cl)no1)NC1CCCCC1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide?
The InChIKey is RGCSZWHSHQEZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-15-10-5-4-9-14(15)18-21-17(24-22-18)12-6-11-16(23)20-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,20,23).
What are the key properties of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide?
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide has a molecular weight of 347.85 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide is sourced from PubChem (CID 2234500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).