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Also known as: 189028-93-1, (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone, (s)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 2-oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4s)-, 3-[5-(1,5-dioxo-5-(p-fluophenylpentyl]-4(s)-phenyl-2-oxazolidinone
Molecular Formula
C20H18FNO4
Molecular Weight
355.4  g/mol
InChI Key
XXSSRSVXDNUAQX-QGZVFWFLSA-N

CAS 189028-93-1
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. (s)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione

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

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

6. 3-[5-(1,5-dioxo-5-(p-fluophenylpentyl]-4(s)-phenyl-2-oxazolidinone

7. Ezetimibeintermediate

8. Mfcd08061377

9. 1,5-pentanedione, 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-3-oxazolidinyl]-

10. Schembl1177723

11. Dtxsid20458165

12. Act07247

13. Amy30629

14. Bcp27351

15. Sc3731

16. Zinc21999755

17. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-2-oxazolidinone

18. (4s)-4-phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one

19. Akos015896147

20. Ac-1649

21. As-17430

22. Cs-0156598

23. P2111

24. 028f931

25. J-501477

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

27. 3-[5-(1,5-dioxo-5-(p-fluophenylpentyl]-4s-phenyl-2-oxazolidinone

28. (4s)-3-(5-(4-fluorophenyl)-1,5-dioxophenyl)-4-phenyl-2-oxazolidinone

29. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2- Oxazolidinone

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

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

32. (4s)-3-[1,5-dioxo-5-(4-fluorophenyl)pentyl]-4beta-phenyloxazolidine-2-one

33. (5)-1-(4-fluoro-phenyl)-5-(2-oxo-4-phenyl-oxazolidin-3-yl)-pentane-1,5-dione

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

35. (s)-3-(5-(4-fluorophenyl)-5-oxopentanoyl)-4-phenyloxazolidin-2-one;(4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 355.4 g/mol
Molecular Formula C20H18FNO4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass355.12198622 g/mol
Monoisotopic Mass355.12198622 g/mol
Topological Polar Surface Area63.7 Ų
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

BUILDING BLOCK

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