5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine

• ChemBase ID: 738802
• Molecular Formular: C20H16FN5O
• Molecular Mass: 361.3723432
• Monoisotopic Mass: 361.13388838
• SMILES: n1c(noc1c1cnc(N(Cc2cnccc2)C)cc1)c1c(F)cccc1
• Canonical SMILES: CN(c1ccc(cn1)c1onc(n1)c1ccccc1F)Cc1cccnc1
• InChI: InChI=1S/C20H16FN5O/c1-26(13-14-5-4-10-22-11-14)18-9-8-15(12-23-18)20-24-19(25-27-20)16-6-2-3-7-17(16)21/h2-12H,13H2,1H3
• InChIKey: BTYYFEHTEJOHBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
• IUPAC Traditional name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
• Synonyms: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-pyridinylmethyl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.279877
• LogD (pH = 7.4): 4.4322233
• Log P: 4.4343753
• Molar Refractivity: 122.4441 cm^3
• Polarizability: 38.268806 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.47
• LOG S: -4.87
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5