3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine

• ChemBase ID: 307176
• Molecular Formular: C10H17N3O2
• Molecular Mass: 211.26088
• Monoisotopic Mass: 211.1320768
• SMILES: n1c(onc1CCOC)C1CNCCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCNC1
• InChI: InChI=1S/C10H17N3O2/c1-14-6-4-9-12-10(15-13-9)8-3-2-5-11-7-8/h8,11H,2-7H2,1H3
• InChIKey: QXDYUJBMCVLKBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine
• Synonyms: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine

Database IDs

• CAS Number: 915920-01-3
• MDL Number: MFCD08691546

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5976493
• LogD (pH = 7.4): -1.2626785
• Log P: 0.6370194
• Molar Refractivity: 57.1696 cm^3
• Polarizability: 21.541943 Å^3
• Polar Surface Area: 60.18 Å^2