N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

• ChemBase ID: 789190
• Molecular Formular: C23H24N4O3
• Molecular Mass: 404.46166
• Monoisotopic Mass: 404.18484065
• SMILES: n1c(noc1CC)CN(C(=O)c1cc2nc(oc2cc1)CCCc1ccccc1)C
• Canonical SMILES: CCc1onc(n1)CN(C(=O)c1ccc2c(c1)nc(o2)CCCc1ccccc1)C
• InChI: InChI=1S/C23H24N4O3/c1-3-21-25-20(26-30-21)15-27(2)23(28)17-12-13-19-18(14-17)24-22(29-19)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14H,3,7,10-11,15H2,1-2H3
• InChIKey: QESSABXWHRNSNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
• IUPAC Traditional name: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
• Synonyms: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.4328284
• LogD (pH = 7.4): 4.43283
• Log P: 4.43283
• Molar Refractivity: 113.7665 cm^3
• Polarizability: 43.611973 Å^3
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.89
• LOG S: -4.62
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 8