1'-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,3-dihydrospiro[indene-1,4'-piperidine]-2-ol

• ChemBase ID: 339917
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1(oc(nn1)CC)N1CCC2(c3c(CC2O)cccc3)CC1
• Canonical SMILES: CCc1nnc(o1)N1CCC2(CC1)C(O)Cc1c2cccc1
• InChI: InChI=1S/C17H21N3O2/c1-2-15-18-19-16(22-15)20-9-7-17(8-10-20)13-6-4-3-5-12(13)11-14(17)21/h3-6,14,21H,2,7-11H2,1H3
• InChIKey: HFRKWUPRXAZPLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,3-dihydrospiro[indene-1,4'-piperidine]-2-ol
• IUPAC Traditional name: 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,3-dihydrospiro[indene-1,4'-piperidine]-2-ol
• Synonyms: 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.476681
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9607003
• LogD (pH = 7.4): 1.9607006
• Log P: 1.9607008
• Molar Refractivity: 85.9683 cm^3
• Polarizability: 31.6786 Å^3
• Polar Surface Area: 62.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.75
• LOG S: -4.04
• Polar Surface Area: 62.39 Å^2
• Rotatable Bonds: 2