3-(2-fluorophenyl)-5-(4-methoxybenzenesulfonyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine

• ChemBase ID: 321753
• Molecular Formular: C19H17FN2O4S
• Molecular Mass: 388.4126832
• Monoisotopic Mass: 388.08930625
• SMILES: S(=O)(=O)(N1Cc2c(noc2CC1)c1c(F)cccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)c(no2)c1ccccc1F
• InChI: InChI=1S/C19H17FN2O4S/c1-25-13-6-8-14(9-7-13)27(23,24)22-11-10-18-16(12-22)19(21-26-18)15-4-2-3-5-17(15)20/h2-9H,10-12H2,1H3
• InChIKey: WHDCKYJNZFKBNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-5-(4-methoxybenzenesulfonyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• IUPAC Traditional name: 3-(2-fluorophenyl)-5-(4-methoxybenzenesulfonyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• Synonyms: 3-(2-fluorophenyl)-5-[(4-methoxyphenyl)sulfonyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8649416
• LogD (pH = 7.4): 2.8649418
• Log P: 2.8649418
• Molar Refractivity: 98.8052 cm^3
• Polarizability: 39.132114 Å^3
• Polar Surface Area: 72.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.58
• LOG S: -3.47
• Polar Surface Area: 72.64 Å^2
• Rotatable Bonds: 2