2-{2-[3-(diphenylmethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethoxy}ethan-1-ol

• ChemBase ID: 587846
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: c12c(noc1CCN(C2)CCOCCO)C(c1ccccc1)c1ccccc1
• Canonical SMILES: OCCOCCN1CCc2c(C1)c(no2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H26N2O3/c26-14-16-27-15-13-25-12-11-21-20(17-25)23(24-28-21)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,22,26H,11-17H2
• InChIKey: COZMDHOZQJXUSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[3-(diphenylmethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethoxy}ethan-1-ol
• IUPAC Traditional name: 2-{2-[3-(diphenylmethyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethoxy}ethanol
• Synonyms: 2-{2-[3-(diphenylmethyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]ethoxy}ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.121227
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1811633
• LogD (pH = 7.4): 2.689957
• Log P: 2.915799
• Molar Refractivity: 110.6589 cm^3
• Polarizability: 42.170055 Å^3
• Polar Surface Area: 58.73 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.58
• LOG S: -3.15
• Polar Surface Area: 58.73 Å^2
• Rotatable Bonds: 8