5-(4-methylphenyl)-1,3-oxazol-2-amine

• ChemBase ID: 815724
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: o1c(ncc1c1ccc(cc1)C)N
• Canonical SMILES: Cc1ccc(cc1)c1cnc(o1)N
• InChI: InChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-6H,1H3,(H2,11,12)
• InChIKey: JRHYJRMNHZTGPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methylphenyl)-1,3-oxazol-2-amine
• IUPAC Traditional name: 5-(4-methylphenyl)-1,3-oxazol-2-amine
• Synonyms: 5-p-tolyloxazol-2-amine

Database IDs

• CAS Number: 6826-28-4

CALCULATED PROPERTIES

• Acid pKa: 14.618145
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8502824
• LogD (pH = 7.4): 1.8510987
• Log P: 1.8511091
• Molar Refractivity: 50.996 cm^3
• Polarizability: 20.171938 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%