(5-methyl-1,3-oxazol-2-yl)methanol

• ChemBase ID: 238762
• Molecular Formular: C5H7NO2
• Molecular Mass: 113.11458
• Monoisotopic Mass: 113.04767847
• SMILES: n1c(oc(c1)C)CO
• Canonical SMILES: Cc1cnc(o1)CO
• InChI: InChI=1S/C5H7NO2/c1-4-2-6-5(3-7)8-4/h2,7H,3H2,1H3
• InChIKey: JDRBDIIAXYFTIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-1,3-oxazol-2-yl)methanol
• IUPAC Traditional name: (5-methyl-1,3-oxazol-2-yl)methanol
• Synonyms: (5-methyl-1,3-oxazol-2-yl)methanol; (5-methyloxazol-2-yl)methanol

Database IDs

• CAS Number: 888022-42-2
• MDL Number: MFCD11110211
• PubChem SID: 164294672
• PubChem CID: 22081028

CALCULATED PROPERTIES

• Acid pKa: 13.1793995
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5794879
• LogD (pH = 7.4): -0.57948554
• Log P: -0.5794848
• Molar Refractivity: 28.06 cm^3
• Polarizability: 10.596454 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.948

Product Information

• Purity: 95%; 98%