5-(2-methoxyphenyl)-1,2-oxazole

• ChemBase ID: 297113
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: COc1ccccc1c1ccno1
• Canonical SMILES: COc1ccccc1c1ccno1
• InChI: InChI=1S/C10H9NO2/c1-12-9-5-3-2-4-8(9)10-6-7-11-13-10/h2-7H,1H3
• InChIKey: DPPFYBGCJJBZEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxyphenyl)-1,2-oxazole
• IUPAC Traditional name: 5-(2-methoxyphenyl)-1,2-oxazole
• Synonyms: 5-(2-Methoxyphenyl)isoxazole

Database IDs

• MDL Number: MFCD05664749
• PubChem SID: 180682644
• PubChem CID: 21134354

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.747345
• LogD (pH = 7.4): 1.7473464
• Log P: 1.7473464
• Molar Refractivity: 48.9769 cm^3
• Polarizability: 19.791094 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 126-128°C/0.08mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%