CAS 189028-93-1

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Chemistry

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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

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 Formula	C₂₀H₁₈FNO₄
Molecular Weight	355.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	355.12198622 g/mol
Monoisotopic Mass	355.12198622 g/mol
Topological Polar Surface Area	63.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	524
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1