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

• ChemBase ID: 691862
• Molecular Formular: C16H25N3O2
• Molecular Mass: 291.3886
• Monoisotopic Mass: 291.19467706
• SMILES: n1c(noc1C1CCN(CC1)C1CCCC1)C1COCC1
• Canonical SMILES: C1CCC(C1)N1CCC(CC1)c1onc(n1)C1CCOC1
• InChI: InChI=1S/C16H25N3O2/c1-2-4-14(3-1)19-8-5-12(6-9-19)16-17-15(18-21-16)13-7-10-20-11-13/h12-14H,1-11H2
• InChIKey: RXEFHBCUAHSFRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0556669
• LogD (pH = 7.4): 0.575972
• Log P: 2.2440398
• Molar Refractivity: 81.8744 cm^3
• Polarizability: 31.10815 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.63
• LOG S: -1.71
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3