CAS 1072-67-9

Chemistry

Chemistry

Also known as: 1072-67-9, 5-methylisoxazol-3-amine, 5-methyl-3-isoxazolamine, 5-methyl-1,2-oxazol-3-amine, 3-isoxazolamine, 5-methyl-, 5-methyl-3-aminoisoxazole

Molecular Formula

C₄H₆N₂O

Molecular Weight

98.10 g/mol

InChI Key

FKPXGNGUVSHWQQ-UHFFFAOYSA-N

FDA UNII

G54MJS11L9

1 2D Structure

CAS 1072-67-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methyl-1,2-oxazol-3-amine

2.1.2 InChI

InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)

2.1.3 InChI Key

FKPXGNGUVSHWQQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=NO1)N

2.2 Other Identifiers

2.2.1 UNII

G54MJS11L9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3a5mi Cpd

2.3.2 Depositor-Supplied Synonyms

1. 1072-67-9

2. 5-methylisoxazol-3-amine

3. 5-methyl-3-isoxazolamine

4. 5-methyl-1,2-oxazol-3-amine

5. 3-isoxazolamine, 5-methyl-

6. 5-methyl-3-aminoisoxazole

7. Isoxazole, 3-amino-5-methyl-

8. 5-methylisoxazol-3-ylamine

9. 3-amino-5-methyl-isoxazole

10. Mfcd00003155

11. 5-methyl-isoxazol-3-ylamine

12. G54mjs11l9

13. Dtxsid9021631

14. Nsc-159134

15. Einecs 214-013-6

16. Nsc 159134

17. Unii-g54mjs11l9

18. Ai3-62721

19. 3-amino-5-methylisoxazol

20. 3-amino-5-methyl Isoxazole

21. M3i

22. Sulfamethoxazole Imp. C (ep); Sulfamethoxazole Usp Related Compound C; Sulfamethoxazole Usp Rc C; 5-methylisoxazol-3-amine; Sulfamethoxazole Related Compound C; Sulfamethoxazole Impurity C

23. Nsc159134

24. 5-methylisoxazole-3-amine

25. 3-amino-5-methylisooxazole

26. 3-amino 5-methyl Isoxazole

27. 5-methyl-isoxazole-3-amine

28. 5-methyl-isoxazole-3-ylamine

29. Dtxcid601631

30. Chembl3183354

31. 5-methyl-3-isoxazolylamine

32. Str00406

33. Tox21_201149

34. Stk793153

35. Stl301718

36. 3-amino-5-methylisoxazole, >=97%

37. 5-methyl-1,2-oxazol-3(2h)-imine

38. Akos000119874

39. Akos022103076

40. Cs-w022416

41. Hy-w041676

42. Ng-0401

43. Pb28932

44. Sdccgmls-0066220.p001

45. Ncgc00248938-01

46. Ncgc00258701-01

47. Bp-10769

48. Pd065544

49. Sy001097

50. Cas-1072-67-9

51. Db-014242

52. A0980

53. Am20080024

54. Ns00007692

55. En300-21602

56. Sulfamethoxazole Impurity C [ep Impurity]

57. A801620

58. W-108757

59. Q27278772

60. F2190-0491

61. Z104503828

62. Inchi=1/c4h6n2o/c1-3-2-4(5)6-7-3/h2h,1h3,(h2,5,6

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₆N₂O
Molecular Weight	98.10 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	52
Heavy Atom Count	7
Formal Charge	0
Complexity	66.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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