CAS 189028-95-3

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4 End Use APIs
30 Related Intermediates

Chemistry

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Also known as: 189028-95-3, (s)-3-((s)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one, 2-oxazolidinone, 3-[(5s)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-, (4s)-, Mfcd13194798, Ezetimibe intermediate-6, Schembl515189

Molecular Formula

C₂₀H₂₀FNO₄

Molecular Weight

357.4 g/mol

InChI Key

AVAZNWOHQJYCEL-MSOLQXFVSA-N

1 2D Structure

CAS 189028-95-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

2.1.2 InChI

InChI=1S/C20H20FNO4/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/h1-3,5-6,9-12,17-18,23H,4,7-8,13H2/t17-,18+/m1/s1

2.1.3 InChI Key

AVAZNWOHQJYCEL-MSOLQXFVSA-N

2.1.4 Canonical SMILES

C1C(N(C(=O)O1)C(=O)CCCC(C2=CC=C(C=C2)F)O)C3=CC=CC=C3

2.1.5 Isomeric SMILES

C1[C@@H](N(C(=O)O1)C(=O)CCC[C@@H](C2=CC=C(C=C2)F)O)C3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 189028-95-3

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

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

4. Mfcd13194798

5. Ezetimibe Intermediate-6

6. Schembl515189

7. Dtxsid50437685

8. (s)-3-[(s)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-2-oxazolidinone

9. Act07248

10. Zinc22059525

11. Akos015896433

12. Ds-4317

13. (4s)-4-phenyl-3-[(5s)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one

14. Ac-26981

15. Cs-0037017

16. I11512

17. 028f953

18. (4s)-3-[(5s)-5-(4-fluoro-phenyl)-5-hydroxy-pentanoyl]-4-phenyl-oxazolidin-2-one

19. (4s)-3-[(s)-5-hydroxy-5-(4-fluorophenyl)valeryl]-4beta-phenyloxazolidine-2-one

20. 2-oxazolidinone,3-[(5s)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-,(4s)-

21. (4s)-3-[(5r)-5-(4-fluorophenyl)-5- Hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₀FNO₄
Molecular Weight	357.4 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	357.13763628 g/mol
Monoisotopic Mass	357.13763628 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	486
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1