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Technical details about (4S,5R)-4-methyl-5-phenyl-oxazolidin-2-one, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 16251-45-9, (4s,5r)-4-methyl-5-phenyloxazolidin-2-one, (4s,5r)-4-methyl-5-phenyl-1,3-oxazolidin-2-one, 2-oxazolidinone, 4-methyl-5-phenyl-, (4s,5r)-, 28044-22-6, (4s,5r)-4-methyl-5-phenyl-2-oxazolidinone
Molecular Formula
C10H11NO2
Molecular Weight
177.20  g/mol
InChI Key
PPIBJOQGAJBQDF-CBAPKCEASA-N
FDA UNII
4KSX5DI61K

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
2.1.2 InChI
InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1
2.1.3 InChI Key
PPIBJOQGAJBQDF-CBAPKCEASA-N
2.1.4 Canonical SMILES
CC1C(OC(=O)N1)C2=CC=CC=C2
2.1.5 Isomeric SMILES
C[C@H]1[C@H](OC(=O)N1)C2=CC=CC=C2
2.2 Other Identifiers
2.2.1 UNII
4KSX5DI61K
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 16251-45-9

2. (4s,5r)-4-methyl-5-phenyloxazolidin-2-one

3. (4s,5r)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

4. 2-oxazolidinone, 4-methyl-5-phenyl-, (4s,5r)-

5. 28044-22-6

6. (4s,5r)-4-methyl-5-phenyl-2-oxazolidinone

7. 2-oxazolidinone, 4-methyl-5-phenyl-, Cis-

8. 4-methyl-5-phenyl-2-oxazolidinone, (4s,5r)-

9. Cis-4-methyl-5-phenyloxazolidin-2-one

10. 4ksx5di61k

11. 4-methyl-5-phenyl-2-oxazolidinone, Cis-

12. Pzo2g7843g

13. 2-oxazolidinone, 4-methyl-5-phenyl-, (4s-cis)-

14. 2-oxazolidinone, 4-methyl-5-phenyl-, (4r,5s)-rel-

15. 2-oxazolidinone, 4-methyl-5-phenyl-, (4s,5r)-(-)-

16. (4s,5r)-4-methyl-5-phenyl-oxazolidin-2-one

17. Unii-4ksx5di61k

18. Unii-pzo2g7843g

19. Mfcd00066226

20. Schembl4687

21. Dtxsid10936705

22. Dtxsid40864668

23. Zinc389615

24. Amy19220

25. Stl556177

26. Akos015902763

27. Ps-3385

28. Ac-33543

29. 4beta-methyl-5beta-phenyl-2-oxazolidinone

30. Rac-cis-4-methyl-5-phenyl-2-oxazolidinone

31. Cs-0059145

32. (r)-4-methyl-(s)-5-phenyl-oxazolidin-2-one

33. 2-oxazolidinone,4-methyl-5-phenyl-,(4s,5r)-

34. 2-oxazolidinone,4-methyl-5-phenyl-, (4s,5s)-

35. 4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-ol

36. A882837

37. J-009944

38. (4s,5r)-(-)-4-methyl-5-phenyl-2-oxazolidinone, 99%

2.4 Create Date
2005-07-09
3 Chemical and Physical Properties
Molecular Weight 177.20 g/mol
Molecular Formula C10H11NO2
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass177.078978594 g/mol
Monoisotopic Mass177.078978594 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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