N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

• ChemBase ID: 733418
• Molecular Formular: C22H23N3O4
• Molecular Mass: 393.43572
• Monoisotopic Mass: 393.16885623
• SMILES: n1c2c(oc1CCCc1ccccc1)ccc(C(=O)NCCN1C(=O)OCC1)c2
• Canonical SMILES: O=C1OCCN1CCNC(=O)c1ccc2c(c1)nc(o2)CCCc1ccccc1
• InChI: InChI=1S/C22H23N3O4/c26-21(23-11-12-25-13-14-28-22(25)27)17-9-10-19-18(15-17)24-20(29-19)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-10,15H,4,7-8,11-14H2,(H,23,26)
• InChIKey: TYMANPNTQPCMGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
• IUPAC Traditional name: N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
• Synonyms: N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.485329
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9340272
• LogD (pH = 7.4): 2.9340286
• Log P: 2.9340286
• Molar Refractivity: 107.0077 cm^3
• Polarizability: 42.007954 Å^3
• Polar Surface Area: 84.67 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: 3.56
• LOG S: -5.32
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 8