3-(diphenylmethyl)-5-(2-ethoxyethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine

• ChemBase ID: 470985
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: c12c(noc1CCN(C2)CCOCC)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CCOCCN1CCc2c(C1)c(no2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H26N2O2/c1-2-26-16-15-25-14-13-21-20(17-25)23(24-27-21)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,22H,2,13-17H2,1H3
• InChIKey: WIDGMPMUWXMHST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diphenylmethyl)-5-(2-ethoxyethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• IUPAC Traditional name: 3-(diphenylmethyl)-5-(2-ethoxyethyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine
• Synonyms: 3-(diphenylmethyl)-5-(2-ethoxyethyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1123855
• LogD (pH = 7.4): 3.6842132
• Log P: 3.962709
• Molar Refractivity: 109.1152 cm^3
• Polarizability: 41.562508 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.83
• LOG S: -4.11
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 7