1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

• ChemBase ID: 598871
• Molecular Formular: C14H21N5O2
• Molecular Mass: 291.34884
• Monoisotopic Mass: 291.16952494
• SMILES: c1(oc(nn1)C(C)(C)C)N1CC(c2nc(on2)C)CCC1
• Canonical SMILES: Cc1onc(n1)C1CCCN(C1)c1nnc(o1)C(C)(C)C
• InChI: InChI=1S/C14H21N5O2/c1-9-15-11(18-21-9)10-6-5-7-19(8-10)13-17-16-12(20-13)14(2,3)4/h10H,5-8H2,1-4H3
• InChIKey: DLKOPGQVIUAFNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine
• IUPAC Traditional name: 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine
• Synonyms: 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.669856
• LogD (pH = 7.4): 2.6698565
• Log P: 2.6698565
• Molar Refractivity: 80.352 cm^3
• Polarizability: 28.818876 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.64
• LOG S: -3.81
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 3