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

• ChemBase ID: 274749
• Molecular Formular: C10H17N3O2
• Molecular Mass: 211.26088
• Monoisotopic Mass: 211.1320768
• SMILES: n1c(noc1CC)COC1CCNCC1
• Canonical SMILES: CCc1onc(n1)COC1CCNCC1
• InChI: InChI=1S/C10H17N3O2/c1-2-10-12-9(13-15-10)7-14-8-3-5-11-6-4-8/h8,11H,2-7H2,1H3
• InChIKey: ATDDJQBFBPEELU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14679482
• PubChem SID: 164330659
• PubChem CID: 54593351

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7805011
• LogD (pH = 7.4): -1.9942139
• Log P: 0.55924714
• Molar Refractivity: 56.9759 cm^3
• Polarizability: 21.616205 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.438

Product Information

• Purity: 95%