4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide

C18H18N4O2 — CID 666501

IUPAC4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
SMILESCc1ccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-7-9-14(10-8-13)18-21-17(24-22-18)6-2-5-16(23)20-15-4-3-11-19-12-15/h3-4,7-12H,2,5-6H2,1H3,(H,20,23)
InChIKeyIMKONHIKQRVTAS-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.40
Rot. Bonds6

About 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide

4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide (PubChem CID 666501) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
PubChem CID666501
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
SMILESCc1ccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-7-9-14(10-8-13)18-21-17(24-22-18)6-2-5-16(23)20-15-4-3-11-19-12-15/h3-4,7-12H,2,5-6H2,1H3,(H,20,23)
InChIKeyIMKONHIKQRVTAS-UHFFFAOYSA-N
XLogP3.40
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide 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

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 1991339
N-Adamantan-2-yl-3,3-dimethyl-4-(3-pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-butyramide
CID 24948552
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 666965
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 666238
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
CID 667196
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
CID 667359
5-(3-Phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
2-[5-(2-Phenylethyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 795427
2-[5-(4-Methylbenzyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2195520
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylpyridin-2-yl)propanamide
CID 3238056
2-Cyano-N-(4-methyl-2-{4-[(1S,6S)-6-(3-methyl-[1,2,4]oxadiazol-5-yl)-cyclohex-3-enyl]-benzylamino}-pyridin-3-yl)-acetamide
CID 44392068
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 866836

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide (CID 666501) is 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide is Cc1ccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
The InChIKey is IMKONHIKQRVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-7-9-14(10-8-13)18-21-17(24-22-18)6-2-5-16(23)20-15-4-3-11-19-12-15/h3-4,7-12H,2,5-6H2,1H3,(H,20,23).
What are the key properties of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide has a molecular weight of 322.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 666501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).