N-(5-methyl-1,2-oxazol-3-yl)acetamide

• ChemBase ID: 78940
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: n1c(cc(o1)C)NC(=O)C
• Canonical SMILES: CC(=O)Nc1noc(c1)C
• InChI: InChI=1S/C6H8N2O2/c1-4-3-6(8-10-4)7-5(2)9/h3H,1-2H3,(H,7,8,9)
• InChIKey: CUYZUESBPHQWRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-methyl-1,2-oxazol-3-yl)acetamide
• IUPAC Traditional name: N-(5-methyl-1,2-oxazol-3-yl)acetamide
• Synonyms: N1-(5-methyl-3-isoxazolyl)acetamide

Database IDs

• MDL Number: MFCD00276692
• PubChem SID: 162043703
• PubChem CID: 538625

CALCULATED PROPERTIES

• Acid pKa: 11.304084
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.36951947
• LogD (pH = 7.4): 0.36946896
• Log P: 0.36952043
• Molar Refractivity: 37.8262 cm^3
• Polarizability: 13.042439 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true