benzyl[(3-methyl-1,2-oxazol-5-yl)methyl]amine

• ChemBase ID: 816101
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: N(Cc1onc(c1)C)Cc1ccccc1
• Canonical SMILES: Cc1noc(c1)CNCc1ccccc1
• InChI: InChI=1S/C12H14N2O/c1-10-7-12(15-14-10)9-13-8-11-5-3-2-4-6-11/h2-7,13H,8-9H2,1H3
• InChIKey: YCMCQEQXYXBUEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• IUPAC Traditional name: benzyl[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• Synonyms: BENZYL-(3-METHYL-ISOXAZOL-5-YLMETHYL)-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3321377
• LogD (pH = 7.4): 1.3039246
• Log P: 1.6719844
• Molar Refractivity: 59.8296 cm^3
• Polarizability: 22.87115 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%