3-{[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}pyridin-2-amine

• ChemBase ID: 544804
• Molecular Formular: C17H16FN3O3
• Molecular Mass: 329.3256432
• Monoisotopic Mass: 329.11756961
• SMILES: c1(nc(c(o1)C)COc1c(nccc1)N)c1c(ccc(c1)OC)F
• Canonical SMILES: COc1ccc(c(c1)c1oc(c(n1)COc1cccnc1N)C)F
• InChI: InChI=1S/C17H16FN3O3/c1-10-14(9-23-15-4-3-7-20-16(15)19)21-17(24-10)12-8-11(22-2)5-6-13(12)18/h3-8H,9H2,1-2H3,(H2,19,20)
• InChIKey: NWWFDGOKJJYBNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}pyridin-2-amine
• IUPAC Traditional name: 3-{[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}pyridin-2-amine
• Synonyms: 3-{[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3825573
• LogD (pH = 7.4): 2.2678287
• Log P: 2.3206322
• Molar Refractivity: 97.1089 cm^3
• Polarizability: 32.9235 Å^3
• Polar Surface Area: 83.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.33
• LOG S: -4.45
• Polar Surface Area: 83.4 Å^2
• Rotatable Bonds: 5