5-benzyl-1,3-oxazol-2-amine

• ChemBase ID: 814165
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: o1c(ncc1Cc1ccccc1)N
• Canonical SMILES: Nc1ncc(o1)Cc1ccccc1
• InChI: InChI=1S/C10H10N2O/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12)
• InChIKey: CLOHIGYLDYVGPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-1,3-oxazol-2-amine
• IUPAC Traditional name: 5-benzyl-1,3-oxazol-2-amine
• Synonyms: 5-benzyloxazol-2-amine

Database IDs

• CAS Number: 33124-08-2

CALCULATED PROPERTIES

• Acid pKa: 14.691402
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.62463
• LogD (pH = 7.4): 1.6263273
• Log P: 1.626349
• Molar Refractivity: 50.7098 cm^3
• Polarizability: 18.799421 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%