1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine

• ChemBase ID: 408195
• Molecular Formular: C23H24N6O2
• Molecular Mass: 416.47566
• Monoisotopic Mass: 416.19607404
• SMILES: c1(nc(on1)CN1CCN(c2nonc2C)CC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1nonc1N1CCN(CC1)Cc1onc(n1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H24N6O2/c1-17-23(27-31-25-17)29-14-12-28(13-15-29)16-20-24-22(26-30-20)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-16H2,1H3
• InChIKey: HOKCZVQIXYJGAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine
• IUPAC Traditional name: 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine
• Synonyms: 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.128323
• LogD (pH = 7.4): 4.298421
• Log P: 4.301084
• Molar Refractivity: 120.3838 cm^3
• Polarizability: 43.989742 Å^3
• Polar Surface Area: 84.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.77
• LOG S: -4.18
• Polar Surface Area: 84.32 Å^2
• Rotatable Bonds: 6