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

• ChemBase ID: 307173
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: n1c(onc1C(C)C)C1NCCCC1
• Canonical SMILES: CC(c1noc(n1)C1CCCCN1)C
• InChI: InChI=1S/C10H17N3O/c1-7(2)9-12-10(14-13-9)8-5-3-4-6-11-8/h7-8,11H,3-6H2,1-2H3
• InChIKey: QSFLIDKBFXPPIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915924-51-5
• MDL Number: MFCD08691543

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5047505
• LogD (pH = 7.4): 1.9596938
• Log P: 2.1517031
• Molar Refractivity: 54.9622 cm^3
• Polarizability: 20.893867 Å^3
• Polar Surface Area: 50.95 Å^2