4-(1-butyl-1H-imidazol-2-yl)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine

• ChemBase ID: 696203
• Molecular Formular: C21H27N5O
• Molecular Mass: 365.47198
• Monoisotopic Mass: 365.22156051
• SMILES: n1c(oc(n1)CN1CCC(c2n(ccn2)CCCC)CC1)c1ccccc1
• Canonical SMILES: CCCCn1ccnc1C1CCN(CC1)Cc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C21H27N5O/c1-2-3-12-26-15-11-22-20(26)17-9-13-25(14-10-17)16-19-23-24-21(27-19)18-7-5-4-6-8-18/h4-8,11,15,17H,2-3,9-10,12-14,16H2,1H3
• InChIKey: DWFUZXVACPHRDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-butyl-1H-imidazol-2-yl)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine
• IUPAC Traditional name: 4-(1-butylimidazol-2-yl)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine
• Synonyms: 4-(1-butyl-1H-imidazol-2-yl)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.05409002
• LogD (pH = 7.4): 2.3362129
• Log P: 2.815891
• Molar Refractivity: 117.9169 cm^3
• Polarizability: 41.179295 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.55
• LOG S: -3.03
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 7