2-[3-(naphthalen-1-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-(propan-2-yl)propanamide

• ChemBase ID: 791915
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c12c(noc2CCN(C1)C(C(=O)NC(C)C)C)c1c2c(ccc1)cccc2
• Canonical SMILES: CC(NC(=O)C(N1CCc2c(C1)c(no2)c1cccc2c1cccc2)C)C
• InChI: InChI=1S/C22H25N3O2/c1-14(2)23-22(26)15(3)25-12-11-20-19(13-25)21(24-27-20)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,14-15H,11-13H2,1-3H3,(H,23,26)
• InChIKey: HQNOBMWXNCOGLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(naphthalen-1-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-2-[3-(naphthalen-1-yl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
• Synonyms: N-isopropyl-2-[3-(1-naphthyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.239557
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5963966
• LogD (pH = 7.4): 3.0685751
• Log P: 3.2697926
• Molar Refractivity: 107.0194 cm^3
• Polarizability: 43.32554 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.52
• LOG S: -4.86
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4