5-(2-fluoro-6-methoxyphenyl)-2-(methoxymethyl)-1,3-benzoxazole

• ChemBase ID: 569156
• Molecular Formular: C16H14FNO3
• Molecular Mass: 287.2856632
• Monoisotopic Mass: 287.09577153
• SMILES: n1c2c(oc1COC)ccc(c1c(F)cccc1OC)c2
• Canonical SMILES: COCc1nc2c(o1)ccc(c2)c1c(F)cccc1OC
• InChI: InChI=1S/C16H14FNO3/c1-19-9-15-18-12-8-10(6-7-13(12)21-15)16-11(17)4-3-5-14(16)20-2/h3-8H,9H2,1-2H3
• InChIKey: ZGVRQTDAGGKHTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluoro-6-methoxyphenyl)-2-(methoxymethyl)-1,3-benzoxazole
• IUPAC Traditional name: 5-(2-fluoro-6-methoxyphenyl)-2-(methoxymethyl)-1,3-benzoxazole
• Synonyms: 5-(2-fluoro-6-methoxyphenyl)-2-(methoxymethyl)-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9010644
• LogD (pH = 7.4): 2.9010646
• Log P: 2.9010646
• Molar Refractivity: 75.433 cm^3
• Polarizability: 31.316095 Å^3
• Polar Surface Area: 44.49 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: 3.64
• LOG S: -4.4
• Polar Surface Area: 44.49 Å^2
• Rotatable Bonds: 4