CAS 168828-82-8

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BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 19 Related Intermediates

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2 End Use APIs
19 Related Intermediates

Chemistry

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Also known as: 168828-82-8, (5r)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione, Pnu-100440, V7v7qjb5qj, ((r)-3-(3-fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methanol, (5r)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Molecular Formula

C₁₄H₁₇FN₂O₄

Molecular Weight

296.29 g/mol

InChI Key

OLDRPBWULXUVTL-LLVKDONJSA-N

FDA UNII

V7V7QJB5QJ

1 2D Structure

CAS 168828-82-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C14H17FN2O4/c15-12-7-10(17-8-11(9-18)21-14(17)19)1-2-13(12)16-3-5-20-6-4-16/h1-2,7,11,18H,3-6,8-9H2/t11-/m1/s1

2.1.3 InChI Key

OLDRPBWULXUVTL-LLVKDONJSA-N

2.1.4 Canonical SMILES

C1COCCN1C2=C(C=C(C=C2)N3CC(OC3=O)CO)F

2.1.5 Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CO)F

2.2 Other Identifiers

2.2.1 UNII

V7V7QJB5QJ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 168828-82-8

2. (5r)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione

3. Pnu-100440

4. V7v7qjb5qj

5. ((r)-3-(3-fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methanol

6. (5r)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

7. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2-oxazolindinone

8. (r)-5-(hydroxymethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

9. (5r)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

10. (5r)-3-(3-fluoro-4-morpholinophenyl)-5-(hydroxymethyl)oxazolidin-2-one

11. (r)-5-(hydroxymethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one, (-)-

12. 2-oxazolidinone, 3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-(hydroxymethyl)-, (5r)-

13. Unii-v7v7qjb5qj

14. Mfcd06658241

15. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-hydroxymethyl-2-oxazolidione

16. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2-oxazolidinone

17. Chembl596913

18. Schembl2829206

19. Dtxsid90441549

20. Act01858

21. Zinc21298212

22. Akos005063828

23. Akos015919719

24. Ac-4277

25. Ds-1756

26. Cs-0030812

27. 828f828

28. Q-100203

29. Q27291642

30. 5(r)-hydroxymethyl-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

31. (5r)-3-(3-fluoro-4-morpholinophenyl)-5-(hydroxymethyl)oxazolidine-2-one

32. 5(r)-hydroxymethyl-3-(4-morpholino-3-fluoro-phenyl)oxazolidin-2-one

33. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

34. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2oxazolidinone

35. (5r)-5-(hydroxymethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇FN₂O₄
Molecular Weight	296.29 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	296.11723519 g/mol
Monoisotopic Mass	296.11723519 g/mol
Topological Polar Surface Area	62.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	378
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