1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,2-dihydrospiro[indole-3,4'-piperidine]

• ChemBase ID: 364444
• Molecular Formular: C18H24N4O
• Molecular Mass: 312.40936
• Monoisotopic Mass: 312.19501141
• SMILES: c1(oc(nn1)C(C)(C)C)N1CCC2(c3c(NC2)cccc3)CC1
• Canonical SMILES: CC(c1nnc(o1)N1CCC2(CC1)CNc1c2cccc1)(C)C
• InChI: InChI=1S/C18H24N4O/c1-17(2,3)15-20-21-16(23-15)22-10-8-18(9-11-22)12-19-14-7-5-4-6-13(14)18/h4-7,19H,8-12H2,1-3H3
• InChIKey: YOAIAMUIWPEVLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,2-dihydrospiro[indole-3,4'-piperidine]
• IUPAC Traditional name: 1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,2-dihydrospiro[indole-3,4'-piperidine]
• Synonyms: 1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,2-dihydrospiro[indole-3,4'-piperidine]

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9152234
• LogD (pH = 7.4): 2.950926
• Log P: 2.951401
• Molar Refractivity: 93.9965 cm^3
• Polarizability: 34.108513 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.27
• LOG S: -4.99
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 2