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

• ChemBase ID: 837428
• Molecular Formular: C17H27N3O2
• Molecular Mass: 305.41518
• Monoisotopic Mass: 305.21032712
• SMILES: n1c(C2(N3CCCCC3)CCCCC2)onc1C1COCC1
• Canonical SMILES: C1CCC(CC1)(N1CCCCC1)c1onc(n1)C1COCC1
• InChI: InChI=1S/C17H27N3O2/c1-3-8-17(9-4-1,20-10-5-2-6-11-20)16-18-15(19-22-16)14-7-12-21-13-14/h14H,1-13H2
• InChIKey: GCAVDRRVZVMIIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 0
• Log P: 2.33
• LOG S: -2.41

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.31842035
• LogD (pH = 7.4): 2.1084168
• Log P: 2.958929
• Molar Refractivity: 86.3599 cm^3
• Polarizability: 33.020428 Å^3
• Polar Surface Area: 51.39 Å^2