N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide

C12H11N3O3 — CID 110392920

IUPACN-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nnc(C)o2)cc1
InChIInChI=1S/C12H11N3O3/c1-7(16)9-3-5-10(6-4-9)13-11(17)12-15-14-8(2)18-12/h3-6H,1-2H3,(H,13,17)
InChIKeyWJHBCQXLEZRCNA-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.83
Rot. Bonds3

About N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide

N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392920) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392920
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nnc(C)o2)cc1
InChIInChI=1S/C12H11N3O3/c1-7(16)9-3-5-10(6-4-9)13-11(17)12-15-14-8(2)18-12/h3-6H,1-2H3,(H,13,17)
InChIKeyWJHBCQXLEZRCNA-UHFFFAOYSA-N
XLogP1.83
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392922
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392915
N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392937
N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392971
5-(4-acetylphenyl)-N-(4-methylphenyl)furan-2-carboxamide
CID 9291217
N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110861160
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 110392920) is N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is CC(=O)c1ccc(NC(=O)c2nnc(C)o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WJHBCQXLEZRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7(16)9-3-5-10(6-4-9)13-11(17)12-15-14-8(2)18-12/h3-6H,1-2H3,(H,13,17).
What are the key properties of N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).