CAS 168828-84-0

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Also known as: 168828-84-0, Deacetamide linezolid azide, Rk3z2b8jfw, (5r)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one, (5r)-5-(azidomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxazolidinone, (r)-(3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-5-oxazolidinyl)methyl azide

Molecular Formula

C₁₄H₁₆FN₅O₃

Molecular Weight

321.31 g/mol

InChI Key

FQUBFDDPWLBKIZ-NSHDSACASA-N

FDA UNII

RK3Z2B8JFW

1 2D Structure

CAS 168828-84-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

2.1.2 InChI

InChI=1S/C14H16FN5O3/c15-12-7-10(1-2-13(12)19-3-5-22-6-4-19)20-9-11(8-17-18-16)23-14(20)21/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1

2.1.3 InChI Key

FQUBFDDPWLBKIZ-NSHDSACASA-N

2.1.4 Canonical SMILES

C1COCCN1C2=C(C=C(C=C2)N3CC(OC3=O)CN=[N+]=[N-])F

2.1.5 Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CN=[N+]=[N-])F

2.2 Other Identifiers

2.2.1 UNII

RK3Z2B8JFW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 168828-84-0

2. Deacetamide Linezolid Azide

3. Rk3z2b8jfw

4. (5r)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

5. (5r)-5-(azidomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxazolidinone

6. (r)-(3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-5-oxazolidinyl)methyl Azide

7. (r)-5-azidomethyl-3-(3-fluoro-4-(morpholin-4-yl)phenyl)oxazolidin-2-one

8. (5r)-5-(azidomethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one

9. (r)-(n-(3-fluoro-4-(morpholin-4-yl)phenyl)-2-oxo-5-oxazolidinyl)methyl Azide

10. 2-oxazolidinone, 5-(azidomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-, (5r)-

11. 2-oxazolidinone, 5-(azidomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-, (r)-

12. 2-oxazolidinone, 5-(azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-, (5r)-

13. (r)-5-(azidomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxazolidinone

14. Linezolide Impurity A

15. Unii-rk3z2b8jfw

16. (r)-5-(azidomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

17. Chembl5198706

18. Schembl13803066

19. Dtxsid10937555

20. Fqubfddpwlbkiz-nshdsacasa-n

21. Bcp12788

22. Cs-o-31988

23. As-82502

24. A1-03403

25. (5r)-5-(azidomethyl)-3-(3-fluoro-4-morpholinphenyl)oxazolidinone-2- One

26. (5r)-3-(3-fluoro-4-morpholinophenyl)-5alpha-(azidomethyl)oxazolidine-2-one

27. 5-(azidomethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one

28. (r)-5-(azidomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one; Linezolid Related Compound A; Deacetamide Linezolid Azide; Linezolid Related Compound A

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆FN₅O₃
Molecular Weight	321.31 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	56.4
Heavy Atom Count	23
Formal Charge	0
Complexity	481
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