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

• ChemBase ID: 616693
• Molecular Formular: C23H20N4O
• Molecular Mass: 368.4311
• Monoisotopic Mass: 368.16371128
• SMILES: c12c(noc1CCN(C2)c1nccnc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1noc2c1CN(CC2)c1cnccn1)c1ccccc1
• InChI: InChI=1S/C23H20N4O/c1-3-7-17(8-4-1)22(18-9-5-2-6-10-18)23-19-16-27(14-11-20(19)28-26-23)21-15-24-12-13-25-21/h1-10,12-13,15,22H,11,14,16H2
• InChIKey: LWGCRIARQNCPNS-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]pyrazine
• IUPAC Traditional name: 2-[3-(diphenylmethyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrazine
• Synonyms: 3-(diphenylmethyl)-5-pyrazin-2-yl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7030036
• LogD (pH = 7.4): 3.7031078
• Log P: 3.7031093
• Molar Refractivity: 109.8213 cm^3
• Polarizability: 40.909615 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.64
• LOG S: -5.0
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 4