4-[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-2-(propan-2-yl)-1,3-thiazole

• ChemBase ID: 858799
• Molecular Formular: C19H18FN3O2S
• Molecular Mass: 371.4285232
• Monoisotopic Mass: 371.11037605
• SMILES: c12c(noc2CCN(C(=O)c2nc(sc2)C(C)C)C1)c1c(F)cccc1
• Canonical SMILES: O=C(c1csc(n1)C(C)C)N1CCc2c(C1)c(no2)c1ccccc1F
• InChI: InChI=1S/C19H18FN3O2S/c1-11(2)18-21-15(10-26-18)19(24)23-8-7-16-13(9-23)17(22-25-16)12-5-3-4-6-14(12)20/h3-6,10-11H,7-9H2,1-2H3
• InChIKey: VKTASRBYNSWAQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-2-(propan-2-yl)-1,3-thiazole
• IUPAC Traditional name: 4-[3-(2-fluorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-2-isopropyl-1,3-thiazole
• Synonyms: 3-(2-fluorophenyl)-5-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6784506
• LogD (pH = 7.4): 3.6784525
• Log P: 3.6784525
• Molar Refractivity: 97.741 cm^3
• Polarizability: 37.41209 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.49
• LOG S: -4.09
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 2