4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-

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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

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 Formula	C₁₀H₁₁NO₂
Molecular Weight	177.20 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	177.078978594 g/mol
Monoisotopic Mass	177.078978594 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	199
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

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