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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

CAS 16251-45-9
1 2D Structure

CAS 16251-45-9

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

BUILDING BLOCK

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