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

C13H14ClN3O2 — CID 2234663

IUPAC4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
SMILESCNC(=O)CCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2/c1-15-11(18)7-4-8-12-16-13(17-19-12)9-5-2-3-6-10(9)14/h2-3,5-6H,4,7-8H2,1H3,(H,15,18)
InChIKeyBGAMNTIKOWCPAU-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.46
Rot. Bonds5

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

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide (PubChem CID 2234663) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
PubChem CID2234663
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
SMILESCNC(=O)CCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2/c1-15-11(18)7-4-8-12-16-13(17-19-12)9-5-2-3-6-10(9)14/h2-3,5-6H,4,7-8H2,1H3,(H,15,18)
InChIKeyBGAMNTIKOWCPAU-UHFFFAOYSA-N
XLogP2.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 731146
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
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 1966104
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
4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoic acid
CID 5308463
4-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2033173
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide
CID 2234500
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-methylbutanamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide (CID 2234663) is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide is CNC(=O)CCCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
The InChIKey is BGAMNTIKOWCPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-15-11(18)7-4-8-12-16-13(17-19-12)9-5-2-3-6-10(9)14/h2-3,5-6H,4,7-8H2,1H3,(H,15,18).
What are the key properties of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide has a molecular weight of 279.73 g/mol, XLogP of 2.46, 5 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-methylbutanamide is sourced from PubChem (CID 2234663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).