{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(1H-imidazol-2-ylmethyl)methylamine

• ChemBase ID: 567882
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c1(nc(c(o1)C)CN(Cc1ncc[nH]1)C)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1nc(c(o1)C)CN(Cc1ncc[nH]1)C
• InChI: InChI=1S/C18H22N4O2/c1-4-23-16-8-6-5-7-14(16)18-21-15(13(2)24-18)11-22(3)12-17-19-9-10-20-17/h5-10H,4,11-12H2,1-3H3,(H,19,20)
• InChIKey: ARTMWOCGSQYQOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.618449
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3163514
• LogD (pH = 7.4): 2.0105047
• Log P: 2.0406437
• Molar Refractivity: 103.1454 cm^3
• Polarizability: 36.16551 Å^3
• Polar Surface Area: 67.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.57
• LOG S: -2.76
• Polar Surface Area: 67.18 Å^2
• Rotatable Bonds: 7