5-{[3-(naphthalen-1-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1,3-oxazolidin-2-one

• ChemBase ID: 519320
• Molecular Formular: C20H19N3O3
• Molecular Mass: 349.38316
• Monoisotopic Mass: 349.14264148
• SMILES: c12c(noc1CCN(C2)CC1OC(=O)NC1)c1c2c(ccc1)cccc2
• Canonical SMILES: O=C1NCC(O1)CN1CCc2c(C1)c(no2)c1cccc2c1cccc2
• InChI: InChI=1S/C20H19N3O3/c24-20-21-10-14(25-20)11-23-9-8-18-17(12-23)19(22-26-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14H,8-12H2,(H,21,24)
• InChIKey: FCHYELOUEUXPFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[3-(naphthalen-1-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5-{[3-(naphthalen-1-yl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1,3-oxazolidin-2-one
• Synonyms: 5-{[3-(1-naphthyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]methyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.882142
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.27795708
• LogD (pH = 7.4): 2.0104702
• Log P: 2.5623248
• Molar Refractivity: 97.273 cm^3
• Polarizability: 39.55846 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.47
• LOG S: -2.85
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 3