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CAS 189028-93-1
PharmaCompass
  • Chemistry
CAS 189028-93-1
Also known as: 189028-93-1, (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-(4s)-2-oxazolidinone, (s)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, Ak-23669, 2-oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4s)-
Molecular Formula
C20H18FNO4
Molecular Weight
355.365  g/mol
InChI Key
XXSSRSVXDNUAQX-QGZVFWFLSA-N

1 2D Structure

CAS 189028-93-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
2.1.2 InChI
InChI=1S/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1
2.1.3 InChI Key
XXSSRSVXDNUAQX-QGZVFWFLSA-N
2.1.4 Canonical SMILES
C1C(N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
2.1.5 Isomeric SMILES
C1[C@@H](N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 189028-93-1

2. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone

3. 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-(4s)-2-oxazolidinone

4. (s)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione

5. Ak-23669

6. 2-oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4s)-

7. J-501477

8. (4s)-4-phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one

9. 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione

10. Api;sintermediate

11. Ezetimibe Impurity 8

12. Ezetimibe Intermediate-5

13. Schembl1177723

14. Jsp003882

15. Ctk4d9991

16. Dtxsid20458165

17. 1-(4-fluoro-phenyl)-5-(2-oxo-4-phenyl-oxazolidin-3-yl)-pentane-1,5-dione

18. Molport-005-940-270

19. Xxssrsvxdnuaqx-qgzvfwflsa-n

20. Act07247

21. Amx10118

22. Anw-44831

23. Mfcd08061377

24. Sc3731

25. Zinc21999755

26. Akos015896147

27. Ac-1649

28. An-3061

29. Rl02399

30. Acm189028931

31. Aj-80064

32. As-17430

33. Bc218893

34. Kb-51840

35. Sc-26934

36. Ab0019662

37. Ax8019067

38. St2402728

39. Tc-133576

40. Bg01644209

41. Ft-0648270

42. P2111

43. St51053181

44. A15336

45. 028f931

46. I06-1664

47. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxophenyl]-4-phen

48. (s)-3-[4-(4-fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one

49. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2- Oxazolidinone

50. (4s)-3-[5-(4-fluorophenyl)-1,5-dixopenyl]-4-phenyl-2-oxazolidinone

51. (4s)-3-[5-(4-fluorophenyl)1,5-dioxophentyl]-4-phenyl-2-oxazolidinone

52. (s)-3-(5-(4-fluorophenyl)-5-oxopentanoyl)-4-phenyloxazolidin-2-one

53. (s)-3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one

54. (s)-4-phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-2-oxazolidinone

55. 3-[5-(4-fluorophenyl)-1,5-dixopenyl]-4-phenyl-(4s)-2-oxazolidinone

56. 3-[5-[(4-fluorophenyl)-1-5-dioxopenta]-yl-4-(s)-phenyl Oxnzolidine-2-one

57. (4s)-3-[1,5-dioxo-5-(4-fluorophenyl)pentyl]-4beta-phenyloxazolidine-2-one

58. (5)-1-(4-fluoro-phenyl)-5-(2-oxo-4-phenyl-oxazolidin-3-yl)-pentane-1,5-dione

59. (s)-1-(4-fluoro-phenyl)-5-(2-oxo-4-phenyl-oxazolidin-3-yl)-pentane-1,5-dione

60. 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-oxazolidin-3-yl]pentane-1,5-dione

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 355.365 g/mol
Molecular Formula C20H18FNO4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass355.122 g/mol
Monoisotopic Mass355.122 g/mol
Topological Polar Surface Area63.7 A^2
Heavy Atom Count26
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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