benzyl({[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine

• ChemBase ID: 584006
• Molecular Formular: C19H18F2N2O
• Molecular Mass: 328.3558264
• Monoisotopic Mass: 328.13871965
• SMILES: c1(nc(c(o1)C)CN(Cc1ccccc1)C)c1c(c(F)ccc1)F
• Canonical SMILES: CN(Cc1nc(oc1C)c1cccc(c1F)F)Cc1ccccc1
• InChI: InChI=1S/C19H18F2N2O/c1-13-17(12-23(2)11-14-7-4-3-5-8-14)22-19(24-13)15-9-6-10-16(20)18(15)21/h3-10H,11-12H2,1-2H3
• InChIKey: ASLXDGZDMDLQGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl({[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine
• IUPAC Traditional name: benzyl({[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl})methylamine
• Synonyms: N-benzyl-1-[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3092172
• LogD (pH = 7.4): 3.8874476
• Log P: 4.1722145
• Molar Refractivity: 100.0846 cm^3
• Polarizability: 34.301975 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.98
• LOG S: -3.9
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 5