(2S)-N-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidine-2-carboxamide

• ChemBase ID: 323343
• Molecular Formular: C20H23N5O4
• Molecular Mass: 397.42772
• Monoisotopic Mass: 397.17500424
• SMILES: N1(C(=O)CN2C(=O)OCC2)[C@H](C(=O)Nc2ccc(n3c(ncc3)C)cc2)CCC1
• Canonical SMILES: O=C([C@@H]1CCCN1C(=O)CN1CCOC1=O)Nc1ccc(cc1)n1ccnc1C
• InChI: InChI=1S/C20H23N5O4/c1-14-21-8-10-24(14)16-6-4-15(5-7-16)22-19(27)17-3-2-9-25(17)18(26)13-23-11-12-29-20(23)28/h4-8,10,17H,2-3,9,11-13H2,1H3,(H,22,27)/t17-/m0/s1
• InChIKey: NMPOBOJJCLIBBF-KRWDZBQOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidine-2-carboxamide
• Synonyms: N-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-1-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-L-prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.513602
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.55269367
• LogD (pH = 7.4): 0.26527593
• Log P: 0.399491
• Molar Refractivity: 115.6514 cm^3
• Polarizability: 40.48971 Å^3
• Polar Surface Area: 96.77 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: 0.49
• LOG S: -2.52
• Polar Surface Area: 96.77 Å^2
• Rotatable Bonds: 5