1-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl}piperidine

• ChemBase ID: 552417
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: n1c(noc1CCCN1CCCCC1)C1COCC1
• Canonical SMILES: C1CCN(CC1)CCCc1onc(n1)C1COCC1
• InChI: InChI=1S/C14H23N3O2/c1-2-7-17(8-3-1)9-4-5-13-15-14(16-19-13)12-6-10-18-11-12/h12H,1-11H2
• InChIKey: VNSAPAKCOOGNMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl}piperidine
• IUPAC Traditional name: 1-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl}piperidine
• Synonyms: 1-{3-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]propyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3562504
• LogD (pH = 7.4): 0.3950165
• Log P: 1.6943482
• Molar Refractivity: 74.7603 cm^3
• Polarizability: 28.157196 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.18
• LOG S: -1.14
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5