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

• ChemBase ID: 513516
• Molecular Formular: C16H25N3O3
• Molecular Mass: 307.388
• Monoisotopic Mass: 307.18959168
• SMILES: n1c(noc1C1CCN(CC1)C1CCOCC1)C1COCC1
• Canonical SMILES: O1CCC(CC1)N1CCC(CC1)c1onc(n1)C1COCC1
• InChI: InChI=1S/C16H25N3O3/c1-6-19(14-4-9-20-10-5-14)7-2-12(1)16-17-15(18-22-16)13-3-8-21-11-13/h12-14H,1-11H2
• InChIKey: RJNUZZJABMDIGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxan-4-yl)-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: 1-(oxan-4-yl)-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidine
• Synonyms: 4-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.3269324
• LogD (pH = 7.4): -0.63695675
• Log P: 0.8820073
• Molar Refractivity: 83.9367 cm^3
• Polarizability: 31.828312 Å^3
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.99
• LOG S: -2.13
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 3