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

• ChemBase ID: 433357
• Molecular Formular: C19H21FN4O2
• Molecular Mass: 356.3940432
• Monoisotopic Mass: 356.16485415
• SMILES: n1c(noc1c1cnc(N(C(C)C)CCOC)cc1)c1c(F)cccc1
• Canonical SMILES: COCCN(c1ccc(cn1)c1onc(n1)c1ccccc1F)C(C)C
• InChI: InChI=1S/C19H21FN4O2/c1-13(2)24(10-11-25-3)17-9-8-14(12-21-17)19-22-18(23-26-19)15-6-4-5-7-16(15)20/h4-9,12-13H,10-11H2,1-3H3
• InChIKey: VPKGKVOKKZZECS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.508089
• LogD (pH = 7.4): 4.582474
• Log P: 4.583514
• Molar Refractivity: 120.1993 cm^3
• Polarizability: 37.642174 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.92
• LOG S: -4.31
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5