1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropiperidine

• ChemBase ID: 366303
• Molecular Formular: C11H15F2N3O
• Molecular Mass: 243.2531064
• Monoisotopic Mass: 243.11831856
• SMILES: c1(oc(nn1)C1CCC1)N1CCC(CC1)(F)F
• Canonical SMILES: FC1(F)CCN(CC1)c1nnc(o1)C1CCC1
• InChI: InChI=1S/C11H15F2N3O/c12-11(13)4-6-16(7-5-11)10-15-14-9(17-10)8-2-1-3-8/h8H,1-7H2
• InChIKey: ULYSGMGHHTVYSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropiperidine
• IUPAC Traditional name: 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropiperidine
• Synonyms: 1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1641328
• LogD (pH = 7.4): 2.164133
• Log P: 2.164133
• Molar Refractivity: 58.929 cm^3
• Polarizability: 21.25683 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.69
• LOG S: -3.28
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 2