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

• ChemBase ID: 821626
• Molecular Formular: C23H23N3O3
• Molecular Mass: 389.44702
• Monoisotopic Mass: 389.17394161
• SMILES: c12c(noc1CCN(C2)CC1OC(=O)NC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C1NCC(O1)CN1CCc2c(C1)c(no2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H23N3O3/c27-23-24-13-18(28-23)14-26-12-11-20-19(15-26)22(25-29-20)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,21H,11-15H2,(H,24,27)
• InChIKey: GTKHUKZTOKUPDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.366123
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6331434
• LogD (pH = 7.4): 3.0245404
• Log P: 3.1822724
• Molar Refractivity: 110.0415 cm^3
• Polarizability: 42.031418 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.21
• LOG S: -3.77
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 5