(5-methyl-1,3-oxazol-4-yl)methanol

• ChemBase ID: 309063
• Molecular Formular: C5H7NO2
• Molecular Mass: 113.11458
• Monoisotopic Mass: 113.04767847
• SMILES: c1(ncoc1C)CO
• Canonical SMILES: Cc1ocnc1CO
• InChI: InChI=1S/C5H7NO2/c1-4-5(2-7)6-3-8-4/h3,7H,2H2,1H3
• InChIKey: FKQJNZYJRXRLNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-1,3-oxazol-4-yl)methanol
• IUPAC Traditional name: (5-methyl-1,3-oxazol-4-yl)methanol
• Synonyms: (5-methyl-1,3-oxazol-4-yl)methanol

Database IDs

• CAS Number: 874821-67-7
• MDL Number: MFCD16556111

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.57118285
• LogD (pH = 7.4): -0.5711796
• Log P: -0.57117933
• Molar Refractivity: 28.2108 cm^3
• Polarizability: 10.595805 Å^3
• Polar Surface Area: 46.26 Å^2