CAS 152305-23-2

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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

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 Formula	C₁₀H₁₂N₂O₂
Molecular Weight	192.21 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	192.089877630 g/mol
Monoisotopic Mass	192.089877630 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	212
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