CAS 99395-88-7

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28 Related Intermediates

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Chemistry

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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

CAS 99395-88-7

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 Formula	C₉H₉NO₂
Molecular Weight	163.17 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	163.063328530 g/mol
Monoisotopic Mass	163.063328530 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175
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