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

• ChemBase ID: 279260
• Molecular Formular: C6H8N2O3
• Molecular Mass: 156.13932
• Monoisotopic Mass: 156.05349213
• SMILES: c1(noc(c1)C)NC(=O)CO
• Canonical SMILES: Cc1cc(no1)NC(=O)CO
• InChI: InChI=1S/C6H8N2O3/c1-4-2-5(8-11-4)7-6(10)3-9/h2,9H,3H2,1H3,(H,7,8,10)
• InChIKey: XBVAIHNFZDBIKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08442998
• PubChem SID: 164335170
• PubChem CID: 16769771

CALCULATED PROPERTIES

• Acid pKa: 10.904015
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.44772953
• LogD (pH = 7.4): -0.4478569
• Log P: -0.44772762
• Molar Refractivity: 39.5284 cm^3
• Polarizability: 13.74051 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.45

Product Information

• Purity: 95%