5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine

• ChemBase ID: 732171
• Molecular Formular: C11H12ClFN4O
• Molecular Mass: 270.6905832
• Monoisotopic Mass: 270.06836692
• SMILES: c1(nnc(o1)CC)CN(c1ncc(cc1F)Cl)C
• Canonical SMILES: CCc1nnc(o1)CN(c1ncc(cc1F)Cl)C
• InChI: InChI=1S/C11H12ClFN4O/c1-3-9-15-16-10(18-9)6-17(2)11-8(13)4-7(12)5-14-11/h4-5H,3,6H2,1-2H3
• InChIKey: ISPZZPOZSCXBQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
• IUPAC Traditional name: 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
• Synonyms: 5-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-N-methyl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8073586
• LogD (pH = 7.4): 1.8074994
• Log P: 1.8075013
• Molar Refractivity: 67.5972 cm^3
• Polarizability: 24.282171 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.2
• LOG S: -2.2
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 4