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

• ChemBase ID: 327792
• Molecular Formular: C19H19ClN2O
• Molecular Mass: 326.81996
• Monoisotopic Mass: 326.11859092
• SMILES: c1(nc(c(o1)C)CN(Cc1ccccc1)C)c1c(Cl)cccc1
• Canonical SMILES: CN(Cc1nc(oc1C)c1ccccc1Cl)Cc1ccccc1
• InChI: InChI=1S/C19H19ClN2O/c1-14-18(13-22(2)12-15-8-4-3-5-9-15)21-19(23-14)16-10-6-7-11-17(16)20/h3-11H,12-13H2,1-2H3
• InChIKey: VWBMIVVZAPFVFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6148705
• LogD (pH = 7.4): 4.1995573
• Log P: 4.490855
• Molar Refractivity: 104.4566 cm^3
• Polarizability: 36.880676 Å^3
• Polar Surface Area: 29.27 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 4.22
• LOG S: -3.8
• Polar Surface Area: 29.27 Å^2