5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide

C16H13N3O2 — CID 110391121

IUPAC5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(-c2nnc(C(=O)Nc3ccccc3)o2)cc1
InChIInChI=1S/C16H13N3O2/c1-11-7-9-12(10-8-11)15-18-19-16(21-15)14(20)17-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,20)
InChIKeyLYAWRUJSBZLUFX-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.30
Rot. Bonds3

About 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide

5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391121) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391121
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(-c2nnc(C(=O)Nc3ccccc3)o2)cc1
InChIInChI=1S/C16H13N3O2/c1-11-7-9-12(10-8-11)15-18-19-16(21-15)14(20)17-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,20)
InChIKeyLYAWRUJSBZLUFX-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide 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

N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391151
5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391165
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940
5-(2-chlorophenyl)-N-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391288
N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391027
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 17171705
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110391121) is 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(-c2nnc(C(=O)Nc3ccccc3)o2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is LYAWRUJSBZLUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-7-9-12(10-8-11)15-18-19-16(21-15)14(20)17-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,20).
What are the key properties of 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).