5-(2,4-difluorophenoxymethyl)-N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 469198
• Molecular Formular: C20H16F2N4O3
• Molecular Mass: 398.3628464
• Monoisotopic Mass: 398.11904683
• SMILES: c1(noc(c1)COc1c(cc(cc1)F)F)C(=O)N(Cc1n2c(nc1)cccc2)C
• Canonical SMILES: Fc1ccc(c(c1)F)OCc1onc(c1)C(=O)N(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C20H16F2N4O3/c1-25(11-14-10-23-19-4-2-3-7-26(14)19)20(27)17-9-15(29-24-17)12-28-18-6-5-13(21)8-16(18)22/h2-10H,11-12H2,1H3
• InChIKey: IGLOGIFAPFALOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,4-difluorophenoxymethyl)-N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-(2,4-difluorophenoxymethyl)-N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-1,2-oxazole-3-carboxamide
• Synonyms: 5-[(2,4-difluorophenoxy)methyl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5858952
• LogD (pH = 7.4): 2.1990254
• Log P: 2.2246187
• Molar Refractivity: 101.7544 cm^3
• Polarizability: 36.98651 Å^3
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.32
• LOG S: -4.28
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 6