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

C12H12N4O3 — CID 110392922

IUPACN-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nnc(C)o2)cc1
InChIInChI=1S/C12H12N4O3/c1-7(17)13-9-3-5-10(6-4-9)14-11(18)12-16-15-8(2)19-12/h3-6H,1-2H3,(H,13,17)(H,14,18)
InChIKeyIXOBZKBIVDTUQA-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.59
Rot. Bonds3

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

N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392922) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392922
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nnc(C)o2)cc1
InChIInChI=1S/C12H12N4O3/c1-7(17)13-9-3-5-10(6-4-9)14-11(18)12-16-15-8(2)19-12/h3-6H,1-2H3,(H,13,17)(H,14,18)
InChIKeyIXOBZKBIVDTUQA-UHFFFAOYSA-N
XLogP1.59
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392920
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392915
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
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391151
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
N-(4-methylphenyl)acetamide
CID 7684
5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391165
5-(2-chlorophenyl)-N-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391288
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 110392922) is N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2nnc(C)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is IXOBZKBIVDTUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7(17)13-9-3-5-10(6-4-9)14-11(18)12-16-15-8(2)19-12/h3-6H,1-2H3,(H,13,17)(H,14,18).
What are the key properties of N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).