2-[3-(diphenylmethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-ethylacetamide

• ChemBase ID: 778283
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: c12c(noc1CCN(C2)CC(=O)NCC)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CCNC(=O)CN1CCc2c(C1)c(no2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H25N3O2/c1-2-24-21(27)16-26-14-13-20-19(15-26)23(25-28-20)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,22H,2,13-16H2,1H3,(H,24,27)
• InChIKey: JRMHZDYAYIPDKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(diphenylmethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-ethylacetamide
• IUPAC Traditional name: 2-[3-(diphenylmethyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-N-ethylacetamide
• Synonyms: 2-[3-(diphenylmethyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]-N-ethylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.938369
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.225601
• LogD (pH = 7.4): 2.8842237
• Log P: 2.904401
• Molar Refractivity: 110.8752 cm^3
• Polarizability: 42.06913 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.57
• LOG S: -4.99
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6