3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)propanamide

• ChemBase ID: 529209
• Molecular Formular: C20H19FN4O2
• Molecular Mass: 366.3888632
• Monoisotopic Mass: 366.14920409
• SMILES: c1(nc(on1)CCC(=O)N(Cc1ncccc1)CC=C)c1c(F)cccc1
• Canonical SMILES: C=CCN(C(=O)CCc1onc(n1)c1ccccc1F)Cc1ccccn1
• InChI: InChI=1S/C20H19FN4O2/c1-2-13-25(14-15-7-5-6-12-22-15)19(26)11-10-18-23-20(24-27-18)16-8-3-4-9-17(16)21/h2-9,12H,1,10-11,13-14H2
• InChIKey: NMWYCDAVOBNTDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)propanamide
• Synonyms: N-allyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3427033
• LogD (pH = 7.4): 3.3602505
• Log P: 3.360479
• Molar Refractivity: 110.3474 cm^3
• Polarizability: 37.94012 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.71
• LOG S: -2.03
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 8