4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine

• ChemBase ID: 664946
• Molecular Formular: C18H24N8O
• Molecular Mass: 368.43616
• Monoisotopic Mass: 368.20730743
• SMILES: n1(c(nnc1C1CCN(c2nc(on2)CC)CC1)Cn1cncc1)C1CC1
• Canonical SMILES: CCc1onc(n1)N1CCC(CC1)c1nnc(n1C1CC1)Cn1cncc1
• InChI: InChI=1S/C18H24N8O/c1-2-16-20-18(23-27-16)25-8-5-13(6-9-25)17-22-21-15(26(17)14-3-4-14)11-24-10-7-19-12-24/h7,10,12-14H,2-6,8-9,11H2,1H3
• InChIKey: VICHOPCYZXBCFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine
• IUPAC Traditional name: 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine
• Synonyms: 4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.6414809
• LogD (pH = 7.4): 1.1069156
• Log P: 1.1676334
• Molar Refractivity: 103.4232 cm^3
• Polarizability: 37.06272 Å^3
• Polar Surface Area: 90.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.54
• LOG S: -2.73
• Polar Surface Area: 90.69 Å^2
• Rotatable Bonds: 6