2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

• ChemBase ID: 193584
• Molecular Formular: C9H8N2O3
• Molecular Mass: 192.17142
• Monoisotopic Mass: 192.05349213
• SMILES: n1(c(=O)oc2c1cccc2)CC(=O)N
• Canonical SMILES: NC(=O)Cn1c(=O)oc2c1cccc2
• InChI: InChI=1S/C9H8N2O3/c10-8(12)5-11-6-3-1-2-4-7(6)14-9(11)13/h1-4H,5H2,(H2,10,12)
• InChIKey: QJVVVJOLMXARCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
• IUPAC Traditional name: 2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

Database IDs

• PubChem SID: 164249494
• PubChem CID: 2062124

CALCULATED PROPERTIES

• Acid pKa: 15.0132
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.13326661
• LogD (pH = 7.4): -0.13326661
• Log P: -0.13326661
• Molar Refractivity: 47.2869 cm^3
• Polarizability: 18.267712 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds