4-phenyl-1,3-oxazole

• ChemBase ID: 288977
• Molecular Formular: C9H7NO
• Molecular Mass: 145.15798
• Monoisotopic Mass: 145.05276385
• SMILES: c1(c2ccccc2)cocn1
• Canonical SMILES: c1ccc(cc1)c1cocn1
• InChI: InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-7H
• InChIKey: NTFMLYSGIKHECT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-1,3-oxazole
• IUPAC Traditional name: 4-phenyl-1,3-oxazole
• Synonyms: 4-Phenyloxazole

Database IDs

• CAS Number: 20662-89-9
• PubChem SID: 180674508
• PubChem CID: 589279

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9482124
• LogD (pH = 7.4): 1.9482129
• Log P: 1.9482129
• Molar Refractivity: 41.5316 cm^3
• Polarizability: 17.293442 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%