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

• ChemBase ID: 307623
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: n1c(noc1C)C1CCNCC1
• Canonical SMILES: Cc1onc(n1)C1CCNCC1
• InChI: InChI=1S/C8H13N3O/c1-6-10-8(11-12-6)7-2-4-9-5-3-7/h7,9H,2-5H2,1H3
• InChIKey: ARRIZRNPHNCKOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 757175-70-5
• MDL Number: MFCD11845660

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7893748
• LogD (pH = 7.4): -1.8129687
• Log P: 0.5298692
• Molar Refractivity: 46.1708 cm^3
• Polarizability: 17.151129 Å^3
• Polar Surface Area: 50.95 Å^2