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

• ChemBase ID: 309329
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: n1c(cc(o1)CO)C1CC1
• Canonical SMILES: OCc1onc(c1)C1CC1
• InChI: InChI=1S/C7H9NO2/c9-4-6-3-7(8-10-6)5-1-2-5/h3,5,9H,1-2,4H2
• InChIKey: JSAGCRJDUAYEFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-cyclopropyl-1,2-oxazol-5-yl)methanol
• IUPAC Traditional name: (3-cyclopropyl-1,2-oxazol-5-yl)methanol
• Synonyms: (3-cyclopropyl-5-isoxazolyl)methanol

Database IDs

• CAS Number: 121604-45-3
• MDL Number: MFCD16556130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.40160713
• LogD (pH = 7.4): 0.40160847
• Log P: 0.40160897
• Molar Refractivity: 36.1841 cm^3
• Polarizability: 13.532581 Å^3
• Polar Surface Area: 46.26 Å^2