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

• ChemBase ID: 307179
• Molecular Formular: C13H15N3O
• Molecular Mass: 229.2777
• Monoisotopic Mass: 229.12151212
• SMILES: n1c(noc1C1CCNCC1)c1ccccc1
• Canonical SMILES: N1CCC(CC1)c1onc(n1)c1ccccc1
• InChI: InChI=1S/C13H15N3O/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-5,11,14H,6-9H2
• InChIKey: FRSNRGPKFYZBJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 276236-96-5
• MDL Number: MFCD08691549

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9408568
• LogD (pH = 7.4): 0.07166092
• Log P: 2.3732088
• Molar Refractivity: 76.9575 cm^3
• Polarizability: 25.639362 Å^3
• Polar Surface Area: 50.95 Å^2