[3-(benzyloxy)-1,2-oxazol-5-yl]methanol

• ChemBase ID: 292646
• Molecular Formular: C11H11NO3
• Molecular Mass: 205.20994
• Monoisotopic Mass: 205.07389322
• SMILES: OCc1cc(OCc2ccccc2)no1
• Canonical SMILES: OCc1onc(c1)OCc1ccccc1
• InChI: InChI=1S/C11H11NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-6,13H,7-8H2
• InChIKey: HHYMUVTUFJYDSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(benzyloxy)-1,2-oxazol-5-yl]methanol
• IUPAC Traditional name: [3-(benzyloxy)-1,2-oxazol-5-yl]methanol
• Synonyms: (3-(Benzyloxy)isoxazol-5-yl)methanol

Database IDs

• CAS Number: 123320-44-5
• PubChem SID: 180678177
• PubChem CID: 5324208

CALCULATED PROPERTIES

• Log P: 1.6517019
• Molar Refractivity: 55.5827 cm^3
• Polarizability: 20.895668 Å^3
• Polar Surface Area: 55.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.172842
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6517019
• LogD (pH = 7.4): 1.6517012

PROPERTIES

Product Information

• Purity: 95+%