2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,3-oxazole

• ChemBase ID: 426900
• Molecular Formular: C16H16FN3O2
• Molecular Mass: 301.3155432
• Monoisotopic Mass: 301.12265499
• SMILES: c1(nc(c(o1)C)Cn1ncc(c1)C)c1c(ccc(c1)OC)F
• Canonical SMILES: COc1ccc(c(c1)c1nc(c(o1)C)Cn1ncc(c1)C)F
• InChI: InChI=1S/C16H16FN3O2/c1-10-7-18-20(8-10)9-15-11(2)22-16(19-15)13-6-12(21-3)4-5-14(13)17/h4-8H,9H2,1-3H3
• InChIKey: ZZAXNKUWTPPOBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,3-oxazole
• IUPAC Traditional name: 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole
• Synonyms: 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8716154
• LogD (pH = 7.4): 2.8717246
• Log P: 2.8717258
• Molar Refractivity: 101.7333 cm^3
• Polarizability: 30.484535 Å^3
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.71
• LOG S: -3.71
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 4