1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane dihydrochloride

• ChemBase ID: 275326
• Molecular Formular: C14H18Cl2N4O
• Molecular Mass: 329.22492
• Monoisotopic Mass: 328.08576658
• SMILES: n1c(C2C3(C2)CCNCC3)onc1c1cnccc1.Cl.Cl
• Canonical SMILES: N1CCC2(CC1)CC2c1onc(n1)c1cccnc1.Cl.Cl
• InChI: InChI=1S/C14H16N4O.2ClH/c1-2-10(9-16-5-1)12-17-13(19-18-12)11-8-14(11)3-6-15-7-4-14;;/h1-2,5,9,11,15H,3-4,6-8H2;2*1H
• InChIKey: VTFTVCAHFFUQIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane dihydrochloride
• IUPAC Traditional name: 1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane dihydrochloride
• Synonyms: 1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane dihydrochloride

Database IDs

• MDL Number: MFCD18917329
• PubChem SID: 164331236
• PubChem CID: 53584402

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0219367
• LogD (pH = 7.4): -1.4559913
• Log P: 1.3381217
• Molar Refractivity: 82.0221 cm^3
• Polarizability: 27.701588 Å^3
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.474

Product Information

• Purity: 95%