Oxazolam

Synopsis, Chemistry

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Also known as: Oxazolazepam, Tranquit, Serenal, Hializan, 24143-17-7, Serenal [japanese]

Molecular Formula

C₁₈H₁₇ClN₂O₂

Molecular Weight

328.8 g/mol

InChI Key

VCCZBYPHZRWKFY-UHFFFAOYSA-N

FDA UNII

1V2WI2NA1C

1 2D Structure

Oxazolam

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

2.1.2 InChI

InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)

2.1.3 InChI Key

VCCZBYPHZRWKFY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

1V2WI2NA1C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 10-chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenylbenzo(6,7)(1,4)diazepino(5,4-b) Oxazol-6-one

2. Oxazolam, (trans)-isomer

3. Oxazolazepam

2.3.2 Depositor-Supplied Synonyms

1. Oxazolazepam

2. Tranquit

3. Serenal

4. Hializan

5. 24143-17-7

6. Serenal [japanese]

7. 1v2wi2na1c

8. 10-chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenyloxazolo(3,2-d)(1,4)benzodiazepin-6(5h)-one

9. Benzo(6,7)-1,4-diazepino-(5,4-b)-oxazol-6-one, 10-chloro-2,3,5,6,7,11b-hexahydro-2-methyl-11b-phenyl-

10. Oxazolo[3,2-d][1,4]benzodiazepin-6(5h)-one, 10-chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenyl-

11. Oxazolamum

12. Convertal

13. 10-chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenyloxazolo[3,2-d][1,4]benzodiazepin-6(5h)-one

14. Oxazolo(3,2-d)(1,4)benzodiazepin-6(5h)-one, 10-chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenyl-

15. Oxazolam [inn:jan]

16. Oxazolamum [inn-latin]

17. Unii-1v2wi2na1c

18. 27167-30-2

19. Einecs 246-032-0

20. Serenal (tn)

21. Cs 300

22. Oxazolam [inn]

23. Oxazolam [jan]

24. Oxazolam [mi]

25. Oxazolam (jp17/inn)

26. Oxazolam [mart.]

27. Oxazolam [who-dd]

28. Estrone3-hemisuccinate

29. Dea No. 2839

30. Chembl2104805

31. Dtxsid5023401

32. Schembl10619798

33. Chebi:31944

34. Akos030242155

35. Db15491

36. (cis,trans)-10-chlor-2,3,5,6,7,11b-tetrahydro-2-methyl-11b-phenyloxazolo(3,2-d)(1,4)benzodiazepin-6(5h)-on

37. 10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

38. Oxazolo[3,2-d][1,4]benzodiazepin-6(5h)-one,10-chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenyl-

39. D01278

40. 167o302

41. 10-chloro-2,3,5,11b-tetrahydro-2-methyl-11b-phenyloxazolo[3,2-d][1,4]benzodiazepin-6(7h)-one

42. 10-chloro-2-methyl-11b-phenyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5h)-one #

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₇ClN₂O₂
Molecular Weight	328.8 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	328.0978555 g/mol
Monoisotopic Mass	328.0978555 g/mol
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	468
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1