5-(5-methoxyfuran-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine

• ChemBase ID: 689000
• Molecular Formular: C19H15F3N2O4
• Molecular Mass: 392.3286096
• Monoisotopic Mass: 392.09839163
• SMILES: c12c(noc2CCN(C(=O)c2oc(cc2)OC)C1)c1ccc(C(F)(F)F)cc1
• Canonical SMILES: COc1ccc(o1)C(=O)N1CCc2c(C1)c(no2)c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C19H15F3N2O4/c1-26-16-7-6-15(27-16)18(25)24-9-8-14-13(10-24)17(23-28-14)11-2-4-12(5-3-11)19(20,21)22/h2-7H,8-10H2,1H3
• InChIKey: UCGIYEYGSSRJLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-methoxyfuran-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• IUPAC Traditional name: 5-(5-methoxyfuran-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• Synonyms: 5-(5-methoxy-2-furoyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9942353
• LogD (pH = 7.4): 2.9942355
• Log P: 2.9942355
• Molar Refractivity: 93.1272 cm^3
• Polarizability: 35.044895 Å^3
• Polar Surface Area: 68.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.26
• LOG S: -5.23
• Polar Surface Area: 68.71 Å^2
• Rotatable Bonds: 2