1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate

2.1.2 InChI

InChI=1S/C18H15NO3.K/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,20,21);/q;+1/p-1

2.1.3 InChI Key

QTAQWNSMRSLSCG-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)[O-])C3=CC=CC=C3.[K+]

2.2 Other Identifiers

2.2.1 UNII

ML56O2Z92I

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Daypro Alta

2. 174064-08-5

3. Oxaprozin (potassium)

4. Ml56o2z92i

5. Unii-ml56o2z92i

6. Oxaprozin, Potassium Salt

7. Schembl8190699

8. 2-oxazolepropanoic Acid, 4,5-diphenyl-, Potassium Salt

9. Chembl1200463

10. Hy-b0808a

11. Dtxsid70169754

12. Oxaprozin Potassium [mart.]

13. Oxaprozin Potassium [who-dd]

14. Oxaprozin Potassium [orange Book]

15. Cs-0031253

16. Q27284098

17. Potassium;3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₄KNO₃
Molecular Weight	331.4 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	331.06107479 g/mol
Monoisotopic Mass	331.06107479 g/mol
Topological Polar Surface Area	66.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	367
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	2

Oxaprozin Potassium