[2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine hydrochloride

• ChemBase ID: 798998
• Molecular Formular: C11H13ClN2O
• Molecular Mass: 224.68672
• Monoisotopic Mass: 224.07164073
• SMILES: Cl.C(N)c1nc(oc1)c1ccc(cc1)C
• Canonical SMILES: NCc1coc(n1)c1ccc(cc1)C.Cl
• InChI: InChI=1S/C11H12N2O.ClH/c1-8-2-4-9(5-3-8)11-13-10(6-12)7-14-11;/h2-5,7H,6,12H2,1H3;1H
• InChIKey: QRBGSVYMHOIEAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine hydrochloride
• IUPAC Traditional name: [2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine hydrochloride
• Synonyms: (2-p-tolyloxazol-4-yl)methanamine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8070758
• LogD (pH = 7.4): 0.88023955
• Log P: 1.6605692
• Molar Refractivity: 64.8614 cm^3
• Polarizability: 21.722475 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%