5-phenyl-1,3-oxazol-2-ol

• ChemBase ID: 803952
• Molecular Formular: C9H7NO2
• Molecular Mass: 161.15738
• Monoisotopic Mass: 161.04767847
• SMILES: o1c(ncc1c1ccccc1)O
• Canonical SMILES: Oc1ncc(o1)c1ccccc1
• InChI: InChI=1S/C9H7NO2/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
• InChIKey: YYKBLLMGKYDQLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-1,3-oxazol-2-ol
• IUPAC Traditional name: 5-phenyl-1,3-oxazol-2-ol
• Synonyms: 5-PHENYLOXAZOL-2-OL

Database IDs

• CAS Number: 17107-25-4

CALCULATED PROPERTIES

• Acid pKa: 7.8581023
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8611628
• LogD (pH = 7.4): 1.7344178
• Log P: 1.8630483
• Molar Refractivity: 43.2353 cm^3
• Polarizability: 17.871504 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%