[2-(diethylamino)ethyl]({[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl})ethylamine

• ChemBase ID: 387940
• Molecular Formular: C21H33N3O2
• Molecular Mass: 359.50562
• Monoisotopic Mass: 359.25727731
• SMILES: c1(nc(c(o1)C)CN(CCN(CC)CC)CC)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1nc(c(o1)C)CN(CCN(CC)CC)CC
• InChI: InChI=1S/C21H33N3O2/c1-6-23(7-2)14-15-24(8-3)16-19-17(5)26-21(22-19)18-12-10-11-13-20(18)25-9-4/h10-13H,6-9,14-16H2,1-5H3
• InChIKey: FULQFESFUNVISM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl]({[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl})ethylamine
• IUPAC Traditional name: [2-(diethylamino)ethyl]({[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl})ethylamine
• Synonyms: N-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N,N',N'-triethyl-1,2-ethanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.006804486
• LogD (pH = 7.4): 1.2042267
• Log P: 3.4505424
• Molar Refractivity: 118.5159 cm^3
• Polarizability: 42.355045 Å^3
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.0
• LOG S: -2.27
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 5