5-(2-methoxyethyl)-3-{[4-phenyl-5-(1-phenylethyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazole

• ChemBase ID: 348807
• Molecular Formular: C23H24N4O2
• Molecular Mass: 388.46226
• Monoisotopic Mass: 388.18992603
• SMILES: n1(c(c(nc1)c1ccccc1)C(c1ccccc1)C)Cc1nc(on1)CCOC
• Canonical SMILES: COCCc1onc(n1)Cn1cnc(c1C(c1ccccc1)C)c1ccccc1
• InChI: InChI=1S/C23H24N4O2/c1-17(18-9-5-3-6-10-18)23-22(19-11-7-4-8-12-19)24-16-27(23)15-20-25-21(29-26-20)13-14-28-2/h3-12,16-17H,13-15H2,1-2H3
• InChIKey: SXZSAIJJWJIAIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxyethyl)-3-{[4-phenyl-5-(1-phenylethyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazole
• IUPAC Traditional name: 5-(2-methoxyethyl)-3-{[4-phenyl-5-(1-phenylethyl)imidazol-1-yl]methyl}-1,2,4-oxadiazole
• Synonyms: 5-(2-methoxyethyl)-3-{[4-phenyl-5-(1-phenylethyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9943657
• LogD (pH = 7.4): 4.4298773
• Log P: 4.4407206
• Molar Refractivity: 113.2469 cm^3
• Polarizability: 43.894745 Å^3
• Polar Surface Area: 65.97 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.68
• LOG S: -4.32
• Polar Surface Area: 65.97 Å^2
• Rotatable Bonds: 8