CAS 37928-17-9 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 37928-17-9, 5-methyl-3,4-diphenyl-1,2-oxazole, 5-methyl-3,4-diphenyl-isoxazole, Isoxazole, 5-methyl-3,4-diphenyl- (parecoxib sodium intemediate), Isoxazole, 5-methyl-3,4-diphenyl-, Chembl365033
Molecular Formula
C16H13NO
Molecular Weight
235.28  g/mol
InChI Key
ZXIRUKJWLADSJS-UHFFFAOYSA-N

CAS 37928-17-9
1 2D Structure

CAS 37928-17-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-methyl-3,4-diphenyl-1,2-oxazole
2.1.2 InChI
InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)16(17-18-12)14-10-6-3-7-11-14/h2-11H,1H3
2.1.3 InChI Key
ZXIRUKJWLADSJS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 37928-17-9

2. 5-methyl-3,4-diphenyl-1,2-oxazole

3. 5-methyl-3,4-diphenyl-isoxazole

4. Isoxazole, 5-methyl-3,4-diphenyl- (parecoxib Sodium Intemediate)

5. Isoxazole, 5-methyl-3,4-diphenyl-

6. Chembl365033

7. 3,4-diphenyl-5-methylisoxazole

8. Schembl2277199

9. 3,4-diphenyl-5-methyl Isoxazole

10. 3,4-diphenyl-5-methyl-isoxazole

11. 5-methyl-3,4-diphenyl Isoxazole

12. Amy8898

13. Dtxsid40433813

14. Valdecoxib Impurity (desulfonamide)

15. Bdbm50153036

16. Mfcd18449672

17. Zinc12352313

18. Akos016008848

19. Ds-4629

20. Ac-27060

21. Sc-65822

22. Cs-0077482

23. Ft-0690001

24. M2830

25. A849937

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 235.28 g/mol
Molecular Formula C16H13NO
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass235.099714038 g/mol
Monoisotopic Mass235.099714038 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count18
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty