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Also known as: 152305-23-2, (s)-4-(4-aminobenzyl)-2(1h)-oxazolidinone, (s)-4-(4-aminobenzyl)-2-oxazolidinone, (s)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one, (4s)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one, (s)-4-(4-aminobenzyl)-2-(1h)-oxazolidinone
Molecular Formula
C10H12N2O2
Molecular Weight
192.21  g/mol
InChI Key
WNAVSKJKDPLWBD-VIFPVBQESA-N
FDA UNII
BJO4G2UWA4

CAS 152305-23-2
1 2D Structure

CAS 152305-23-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
2.1.2 InChI
InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1
2.1.3 InChI Key
WNAVSKJKDPLWBD-VIFPVBQESA-N
2.1.4 Canonical SMILES
C1C(NC(=O)O1)CC2=CC=C(C=C2)N
2.1.5 Isomeric SMILES
C1[C@@H](NC(=O)O1)CC2=CC=C(C=C2)N
2.2 Other Identifiers
2.2.1 UNII
BJO4G2UWA4
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 152305-23-2

2. (s)-4-(4-aminobenzyl)-2(1h)-oxazolidinone

3. (s)-4-(4-aminobenzyl)-2-oxazolidinone

4. (s)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one

5. (4s)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

6. (s)-4-(4-aminobenzyl)-2-(1h)-oxazolidinone

7. 340041-89-6

8. 2-oxazolidinone, 4-[(4-aminophenyl)methyl]-, (4s)-

9. Bjo4g2uwa4

10. (s)-4-(4-amino-benzyl)-oxazolidine-2-one

11. (s)-4-(4-aminobenzyl)-oxazolidine-2-one

12. 4-(4-aminobenzyl)oxazolidin-2-one,(s)-

13. (4s)-4-aminophenylmethyl-oxazolidine-2-one

14. S-4-(4-aminobenzyl)-1,3-oxazolidin-2-one

15. (4s)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one

16. (4s)-4-((4-aminophenyl)methyl)-2-oxazolidinone

17. (4s)-4-[(4-aminophenyl)methyl]-2-oxazolidinone

18. (4s)-4-((4-aminophenyl)methyl)-1,3-oxazolidin-2-one

19. 2-oxazolidinone, 4-((4-aminophenyl)methyl)-, (4s)-

20. Mfcd03411476

21. (s)-4-(4-aminobenzyl)-1,3-oxozolidin-2-one

22. Unii-bjo4g2uwa4

23. (4s)-4-[(4-aminophenyl)methyl]oxazolidin-2-one

24. Schembl825617

25. Zolmitriptan Impurity E [ep]

26. 2-oxazolidinone,4-[(4-aminophenyl)methyl]-, (4s)-

27. Zolmitriptan Related Compound G

28. (s)-4-(4'-aminobenzyl)-1,3-oxazolidin-2-one

29. Aminobenzyl Oxazolidinone [usp]

30. Dtxsid301285890

31. Act04409

32. Zinc4101055

33. Akos015855677

34. Akos015889599

35. Cs-w003042

36. (s)-4-(4-aminobenzyl)-2-oxazolidinon

37. Ds-11087

38. Zolmitriptan Related Compound G [usp Rs]

39. (4s)-(4-aminobenzyl)-2-oxazolidine-2-one

40. Am20060519

41. Zolmitriptan Impurity E [ep Impurity]

42. (s)-4-(4-aminobenzyl)-1,3-oxazolidin 2-one

43. Aminobenzyl Oxazolidinone [usp Impurity]

44. Zolmitriptan Related Compound G [usp-rs]

45. (4s)-4-(4-amino-benzyl)-1,3-oxazolidin-2-one

46. 305a232

47. J-502456

48. (s)-4-(4-aminobenzyl)-2(1h)-oxazolidinone, 97%

49. Zolmitriptan Related Compound G, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 192.21 g/mol
Molecular Formula C10H12N2O2
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass192.089877630 g/mol
Monoisotopic Mass192.089877630 g/mol
Topological Polar Surface Area64.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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