4-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine

• ChemBase ID: 291984
• Molecular Formular: C9H15N3O
• Molecular Mass: 181.2349
• Monoisotopic Mass: 181.12151212
• SMILES: CCc1nc(no1)C1CCNCC1
• Canonical SMILES: CCc1onc(n1)C1CCNCC1
• InChI: InChI=1S/C9H15N3O/c1-2-8-11-9(12-13-8)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3
• InChIKey: GLVWSYIZOMCMSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine
• IUPAC Traditional name: 4-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine
• Synonyms: 5-Ethyl-3-(piperidin-4-yl)-1,2,4-oxadiazole

Database IDs

• CAS Number: 1226148-67-9
• MDL Number: MFCD16302156
• PubChem SID: 180677515
• PubChem CID: 60146076

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1403263
• LogD (pH = 7.4): -1.1633452
• Log P: 1.1788391
• Molar Refractivity: 50.7977 cm^3
• Polarizability: 18.98373 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%