4-(4-methoxyphenyl)-1,3-oxazole

• ChemBase ID: 796505
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: o1cnc(c1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cocn1
• InChI: InChI=1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-13-7-11-10/h2-7H,1H3
• InChIKey: RDTKGSYKMUXXSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-1,3-oxazole
• IUPAC Traditional name: 4-(4-methoxyphenyl)-1,3-oxazole
• Synonyms: 4-(4-Methoxyphenyl)oxazole

Database IDs

• CAS Number: 54289-74-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7905412
• LogD (pH = 7.4): 1.7905416
• Log P: 1.7905416
• Molar Refractivity: 47.9948 cm^3
• Polarizability: 19.778337 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%