1'-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-methyl-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 794796
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(Cc1nc(on1)c1occc1)CCC2
• Canonical SMILES: CN1c2ccccc2C2(C1=O)CCCN(C2)Cc1noc(n1)c1ccco1
• InChI: InChI=1S/C20H20N4O3/c1-23-15-7-3-2-6-14(15)20(19(23)25)9-5-10-24(13-20)12-17-21-18(27-22-17)16-8-4-11-26-16/h2-4,6-8,11H,5,9-10,12-13H2,1H3
• InChIKey: NDFQMGUVRFISFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-methyl-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1'-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-methylspiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1'-{[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl}-1-methylspiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 3
• H Acceptors: 6
• H Donor: 0
• Log P: 2.95
• LOG S: -4.38

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9383171
• LogD (pH = 7.4): 2.4141085
• Log P: 2.616525
• Molar Refractivity: 110.3791 cm^3
• Polarizability: 38.199875 Å^3
• Polar Surface Area: 75.61 Å^2