2-[3-(4-chlorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 751842
• Molecular Formular: C19H18ClN3O3
• Molecular Mass: 371.81752
• Monoisotopic Mass: 371.10366913
• SMILES: c12c(noc1CCN(C2)CC(=O)NCc1occc1)c1ccc(cc1)Cl
• Canonical SMILES: O=C(CN1CCc2c(C1)c(no2)c1ccc(cc1)Cl)NCc1ccco1
• InChI: InChI=1S/C19H18ClN3O3/c20-14-5-3-13(4-6-14)19-16-11-23(8-7-17(16)26-22-19)12-18(24)21-10-15-2-1-9-25-15/h1-6,9H,7-8,10-12H2,(H,21,24)
• InChIKey: ACQSBGYOLSCJLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(4-chlorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-[3-(4-chlorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-(furan-2-ylmethyl)acetamide
• Synonyms: 2-[3-(4-chlorophenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]-N-(2-furylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.574128
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5384344
• LogD (pH = 7.4): 2.2996306
• Log P: 2.3269331
• Molar Refractivity: 98.7162 cm^3
• Polarizability: 38.568684 Å^3
• Polar Surface Area: 71.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.32
• LOG S: -3.89
• Polar Surface Area: 71.51 Å^2
• Rotatable Bonds: 5