diphenyl-1,3-oxazol-2-amine

• ChemBase ID: 230881
• Molecular Formular: C15H12N2O
• Molecular Mass: 236.26858
• Monoisotopic Mass: 236.09496301
• SMILES: c1(c(oc(n1)N)c1ccccc1)c1ccccc1
• Canonical SMILES: Nc1nc(c(o1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H12N2O/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17)
• InChIKey: WRXUDNPJNMUPKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl-1,3-oxazol-2-amine
• IUPAC Traditional name: diphenyl-1,3-oxazol-2-amine
• Synonyms: 4,5-Diphenyl-oxazol-2-ylamine

Database IDs

• CAS Number: 33119-63-0
• MDL Number: MFCD00450541
• PubChem SID: 164286791
• PubChem CID: 188210

CALCULATED PROPERTIES

• Acid pKa: 14.511229
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.370672
• LogD (pH = 7.4): 3.3707623
• Log P: 3.3707635
• Molar Refractivity: 70.719 cm^3
• Polarizability: 29.47769 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 3.09

Product Information

• Purity: 95%