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

• ChemBase ID: 521367
• Molecular Formular: C19H21FN4O3
• Molecular Mass: 372.3934432
• Monoisotopic Mass: 372.15976877
• SMILES: n1c(noc1c1cnc(N(CCOC)CCOC)cc1)c1c(F)cccc1
• Canonical SMILES: COCCN(c1ccc(cn1)c1onc(n1)c1ccccc1F)CCOC
• InChI: InChI=1S/C19H21FN4O3/c1-25-11-9-24(10-12-26-2)17-8-7-14(13-21-17)19-22-18(23-27-19)15-5-3-4-6-16(15)20/h3-8,13H,9-12H2,1-2H3
• InChIKey: JHLPEBLVXNLCNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.627833
• LogD (pH = 7.4): 3.7031162
• Log P: 3.70417
• Molar Refractivity: 122.0754 cm^3
• Polarizability: 38.354412 Å^3
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.96
• LOG S: -3.98
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 7