diphenyl-1,2-oxazol-5-amine

• ChemBase ID: 265926
• Molecular Formular: C15H12N2O
• Molecular Mass: 236.26858
• Monoisotopic Mass: 236.09496301
• SMILES: c1(c(noc1N)c1ccccc1)c1ccccc1
• Canonical SMILES: Nc1onc(c1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H12N2O/c16-15-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,16H2
• InChIKey: OJHYWOWFEGPIQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03861189
• PubChem SID: 164321836
• PubChem CID: 1042732

CALCULATED PROPERTIES

• Acid pKa: 15.868382
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2784011
• LogD (pH = 7.4): 3.2784567
• Log P: 3.2784574
• Molar Refractivity: 71.3541 cm^3
• Polarizability: 29.481356 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 3.155

Product Information

• Purity: 95%