benzyl(cyclopropylmethyl){[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}amine

• ChemBase ID: 722418
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: c1(nc(c(o1)C)CN(CC1CC1)Cc1ccccc1)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1nc(c(o1)C)CN(Cc1ccccc1)CC1CC1
• InChI: InChI=1S/C24H28N2O2/c1-3-27-23-12-8-7-11-21(23)24-25-22(18(2)28-24)17-26(16-20-13-14-20)15-19-9-5-4-6-10-19/h4-12,20H,3,13-17H2,1-2H3
• InChIKey: AHHRCPLSCVZPBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(cyclopropylmethyl){[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}amine
• IUPAC Traditional name: benzyl(cyclopropylmethyl){[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}amine
• Synonyms: N-benzyl-1-cyclopropyl-N-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.320307
• LogD (pH = 7.4): 4.0915117
• Log P: 4.8665247
• Molar Refractivity: 122.8056 cm^3
• Polarizability: 44.18075 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.7
• LOG S: -4.64
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 7