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2D Structure
Also known as: 99395-88-7, (s)-4-phenyl-2-oxazolidinone, (s)-4-phenyloxazolidin-2-one, (4s)-4-phenyl-1,3-oxazolidin-2-one, 2-oxazolidinone, 4-phenyl-, (4s)-, 86217-38-1
Molecular Formula
C9H9NO2
Molecular Weight
163.17  g/mol
InChI Key
QDMNNMIOWVJVLY-MRVPVSSYSA-N
FDA UNII
DJ3K4V6J29

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-4-phenyl-1,3-oxazolidin-2-one
2.1.2 InChI
InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
2.1.3 InChI Key
QDMNNMIOWVJVLY-MRVPVSSYSA-N
2.1.4 Canonical SMILES
C1C(NC(=O)O1)C2=CC=CC=C2
2.1.5 Isomeric SMILES
C1[C@@H](NC(=O)O1)C2=CC=CC=C2
2.2 Other Identifiers
2.2.1 UNII
DJ3K4V6J29
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 99395-88-7

2. (s)-4-phenyl-2-oxazolidinone

3. (s)-4-phenyloxazolidin-2-one

4. (4s)-4-phenyl-1,3-oxazolidin-2-one

5. 2-oxazolidinone, 4-phenyl-, (4s)-

6. 86217-38-1

7. (4s)-4-phenyloxazolidin-2-one

8. (s)-poz

9. Dj3k4v6j29

10. (+)-4-phenyl-2-oxazolidinone

11. (4s)-4-phenyl-2-oxazolidinone

12. (s)-(+)-4-phenyloxazolidin-2-one

13. 2-oxazolidinone, 4-phenyl-, (s)-

14. Mfcd00043396

15. (s)-4-phenyloxazolidinone

16. Schembl4562

17. Unii-dj3k4v6j29

18. 4beta-phenyloxazolidine-2-one

19. S-4-phenyl-oxazolidine-2-one

20. (s)-4-phenyloxazoldin-2-one

21. (s)-4-phenyl-oxazolidin-2-on

22. (s)-4-phenyl-oxazolidin-2-one

23. Dtxsid10912726

24. S-(+)-4-phenyl-2-oxazolidinone

25. Zinc143123

26. Act07232

27. Akos005259882

28. (s)-(+)-4-phenyl-oxazolidin-2-one

29. Ac-8429

30. As-12030

31. 4-phenyl-4,5-dihydro-1,3-oxazol-2-ol

32. (s)-(+)-4-phenyl-2-oxazolidinone, 98%

33. Am20060772

34. Cs-0031471

35. P1308

36. (4s)-(+)-4-phenyl-1,3-oxazolidin-2-one

37. 95p887

38. A846016

2.4 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 163.17 g/mol
Molecular Formula C9H9NO2
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass163.063328530 g/mol
Monoisotopic Mass163.063328530 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity175
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1