3-methoxy-5-phenyl-1,2-oxazole

• ChemBase ID: 121897
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1c(onc1OC)c1ccccc1
• Canonical SMILES: COc1noc(c1)c1ccccc1
• InChI: InChI=1S/C10H9NO2/c1-12-10-7-9(13-11-10)8-5-3-2-4-6-8/h2-7H,1H3
• InChIKey: NSCBMBLDRBRNFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-5-phenyl-1,2-oxazole
• IUPAC Traditional name: 3-methoxy-5-phenyl-1,2-oxazole
• Synonyms: 3-methoxy-5-phenylisoxazole

Database IDs

• PubChem SID: 162216250
• PubChem CID: 919863

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3418038
• LogD (pH = 7.4): 2.341804
• Log P: 2.341804
• Molar Refractivity: 49.2904 cm^3
• Polarizability: 19.788254 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true