bis(4-methylphenyl)-1,3-oxazol-2-amine

• ChemBase ID: 230880
• Molecular Formular: C17H16N2O
• Molecular Mass: 264.32174
• Monoisotopic Mass: 264.12626314
• SMILES: c1(c(oc(n1)N)c1ccc(cc1)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1oc(nc1c1ccc(cc1)C)N
• InChI: InChI=1S/C17H16N2O/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19)
• InChIKey: BKFNWOIDUOMJEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methylphenyl)-1,3-oxazol-2-amine
• IUPAC Traditional name: bis(4-methylphenyl)-1,3-oxazol-2-amine
• Synonyms: 4,5-Di-p-tolyl-oxazol-2-ylamine

Database IDs

• MDL Number: MFCD03964619
• PubChem SID: 164286790
• PubChem CID: 2384424

CALCULATED PROPERTIES

• Acid pKa: 14.540574
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.3975086
• LogD (pH = 7.4): 4.397605
• Log P: 4.3976064
• Molar Refractivity: 80.8014 cm^3
• Polarizability: 33.00292 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.088

Product Information

• Purity: 95%