N-[2-(dimethylamino)ethyl]-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine

• ChemBase ID: 675917
• Molecular Formular: C18H20FN5O
• Molecular Mass: 341.3827032
• Monoisotopic Mass: 341.16518851
• SMILES: n1c(noc1c1cnc(N(CCN(C)C)C)cc1)c1c(F)cccc1
• Canonical SMILES: CN(CCN(c1ccc(cn1)c1onc(n1)c1ccccc1F)C)C
• InChI: InChI=1S/C18H20FN5O/c1-23(2)10-11-24(3)16-9-8-13(12-20-16)18-21-17(22-25-18)14-6-4-5-7-15(14)19/h4-9,12H,10-11H2,1-3H3
• InChIKey: ROPKVPKZRXENFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
• Synonyms: N-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N,N',N'-trimethylethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8637065
• LogD (pH = 7.4): 2.6173604
• Log P: 3.943169
• Molar Refractivity: 118.0075 cm^3
• Polarizability: 36.62795 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.03
• LOG S: -3.27
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 6