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

• ChemBase ID: 275328
• Molecular Formular: C15H17Cl2N3O
• Molecular Mass: 326.22098
• Monoisotopic Mass: 325.07486754
• SMILES: n1c(C2C3(C2)CCNCC3)onc1c1cc(Cl)ccc1.Cl
• Canonical SMILES: Clc1cccc(c1)c1noc(n1)C1CC21CCNCC2.Cl
• InChI: InChI=1S/C15H16ClN3O.ClH/c16-11-3-1-2-10(8-11)13-18-14(20-19-13)12-9-15(12)4-6-17-7-5-15;/h1-3,8,12,17H,4-7,9H2;1H
• InChIKey: OYHMXLTXJZMJAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917330
• PubChem SID: 164331238
• PubChem CID: 54593635

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.21817759
• LogD (pH = 7.4): 0.3420376
• Log P: 3.136077
• Molar Refractivity: 88.9838 cm^3
• Polarizability: 30.464382 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.594

Product Information

• Purity: 95%