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

C13H13N3O3 — CID 1245951

IUPACN-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)on2)c1
InChIInChI=1S/C13H13N3O3/c1-8-6-12(16-19-8)13(18)15-11-5-3-4-10(7-11)14-9(2)17/h3-7H,1-2H3,(H,14,17)(H,15,18)
InChIKeyHQXYQNGIPVOSPC-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.19
Rot. Bonds3

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

N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 1245951) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID1245951
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)on2)c1
InChIInChI=1S/C13H13N3O3/c1-8-6-12(16-19-8)13(18)15-11-5-3-4-10(7-11)14-9(2)17/h3-7H,1-2H3,(H,14,17)(H,15,18)
InChIKeyHQXYQNGIPVOSPC-UHFFFAOYSA-N
XLogP2.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 1245951) is N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(C)on2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HQXYQNGIPVOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-6-12(16-19-8)13(18)15-11-5-3-4-10(7-11)14-9(2)17/h3-7H,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1245951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).