CAS 102029-44-7

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Also known as: 102029-44-7, (r)-(+)-4-benzyl-2-oxazolidinone, (r)-4-benzyloxazolidin-2-one, (4r)-4-benzyl-1,3-oxazolidin-2-one, 2-oxazolidinone, 4-(phenylmethyl)-, (4r)-, R-4-benzyl-2-oxazolidinone

Molecular Formula

C₁₀H₁₁NO₂

Molecular Weight

177.20 g/mol

InChI Key

OJOFMLDBXPDXLQ-SECBINFHSA-N

1 2D Structure

CAS 102029-44-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R)-4-benzyl-1,3-oxazolidin-2-one

2.1.2 InChI

InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1

2.1.3 InChI Key

OJOFMLDBXPDXLQ-SECBINFHSA-N

2.1.4 Canonical SMILES

C1C(NC(=O)O1)CC2=CC=CC=C2

2.1.5 Isomeric SMILES

C1[C@H](NC(=O)O1)CC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 102029-44-7

2. (r)-(+)-4-benzyl-2-oxazolidinone

3. (r)-4-benzyloxazolidin-2-one

4. (4r)-4-benzyl-1,3-oxazolidin-2-one

5. 2-oxazolidinone, 4-(phenylmethyl)-, (4r)-

6. R-4-benzyl-2-oxazolidinone

7. (r)-(-)-4-benzyl-2-oxazolidinone

8. (r)-4-benzyl-oxazolidin-2-one

9. R-(-)-4-benzyl-2-oxazolidinone

10. Mfcd00010846

11. 4-benzyl-1,3-oxazolidin-2-one #

12. R-(+)-4-benzyl-2-oxazolidinone

13. Mls001242802

14. 4(r)-benzyl-2-oxazolidinone

15. 4alpha-benzyl-2-oxazolidinone

16. Schembl137215

17. 4-(r)-benzyl-2-oxazolidinone

18. 4-(r)-benzyloxazolidin-2-one

19. (r)-4-benzyl-oxazolidin-2-on

20. (r)-4-benzyloxazolidine-2-one

21. Chembl1366601

22. (r)-4-benzyl Oxazolidin-2-one

23. Dtxsid60370594

24. (r) -4-benzyl-oxazolidin-2-one

25. Hms2205p17

26. (r)-(+)-4-benzyl-2-oxazolidone

27. (r)-(+)4-benzyl-2-oxazolidinone

28. Act01862

29. Bcp22798

30. Zinc4284392

31. Akos005145805

32. Akos015839026

33. (4r)-(+)-4-benzyl-2-oxazolidinone

34. (r)-4-(phenylmethyl)-2-oxazolidinone

35. (r)-4-benzyl-2-oxazolidinone, 99%

36. Ac-1396

37. Bcp9000029

38. Cs-w007664

39. Fs-2114

40. (r)-(+/-)-4-benzyl-2-oxazolidinone

41. Bp-12372

42. Ds-14383

43. Smr000841429

44. Db-005017

45. A1783

46. Am20060480

47. (4r)-4-(phenylmethyl)-1,3-oxazolidin-2-one

48. 29b447

49. A1-00440

50. Q-102351

2.3 Create Date

2005-07-19

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	2
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	187
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