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

• ChemBase ID: 82310
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: n1c(cc(o1)NC(=O)C)C
• Canonical SMILES: CC(=O)Nc1onc(c1)C
• InChI: InChI=1S/C6H8N2O2/c1-4-3-6(10-8-4)7-5(2)9/h3H,1-2H3,(H,7,9)
• InChIKey: UYQNAXVUQCFHSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00728606
• PubChem SID: 162069429
• PubChem CID: 289987

CALCULATED PROPERTIES

• Acid pKa: 9.223984
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.20392221
• LogD (pH = 7.4): -0.20997787
• Log P: -0.20383725
• Molar Refractivity: 36.2078 cm^3
• Polarizability: 13.041572 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true