3-{2-[5-(1-benzofuran-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-1,3-oxazolidin-2-one

• ChemBase ID: 590050
• Molecular Formular: C22H19N3O3
• Molecular Mass: 373.40456
• Monoisotopic Mass: 373.14264148
• SMILES: c1(c2oc3c(c2)cccc3)c(ncn1CCN1C(=O)OCC1)c1ccccc1
• Canonical SMILES: O=C1OCCN1CCn1cnc(c1c1cc2c(o1)cccc2)c1ccccc1
• InChI: InChI=1S/C22H19N3O3/c26-22-24(12-13-27-22)10-11-25-15-23-20(16-6-2-1-3-7-16)21(25)19-14-17-8-4-5-9-18(17)28-19/h1-9,14-15H,10-13H2
• InChIKey: INTHXPJRTYBHKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[5-(1-benzofuran-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-{2-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl}-1,3-oxazolidin-2-one
• Synonyms: 3-{2-[5-(1-benzofuran-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.40483
• LogD (pH = 7.4): 3.4505615
• Log P: 3.4511836
• Molar Refractivity: 104.3509 cm^3
• Polarizability: 43.864902 Å^3
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.07
• LOG S: -5.4
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 5