2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C22H20F9N5O3 — CID 146624305

About 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 146624305) has the molecular formula C22H20F9N5O3 and a molecular weight of 573.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
• PubChem CID: 146624305
• Molecular Formula: C22H20F9N5O3
• Molecular Weight: 573.42 g/mol
• Exact Mass: 573.14
• IUPAC Name: 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
• SMILES: Cc1cc(C2=NOC(c3cc(C(F)(F)F)nn3C)(C(F)(F)F)C2)cc(C)c1C(=O)NCC(=O)NCC(F)(F)F
• InChI: InChI=1S/C22H20F9N5O3/c1-10-4-12(5-11(2)17(10)18(38)32-8-16(37)33-9-20(23,24)25)13-7-19(39-35-13,22(29,30)31)15-6-14(21(26,27)28)34-36(15)3/h4-6H,7-9H2,1-3H3,(H,32,38)(H,33,37)
• InChIKey: ZAUKDSPWOITLJD-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 97.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.42
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?

The IUPAC name of 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 146624305) is 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

What is the SMILES notation for 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?

The canonical SMILES for 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is Cc1cc(C2=NOC(c3cc(C(F)(F)F)nn3C)(C(F)(F)F)C2)cc(C)c1C(=O)NCC(=O)NCC(F)(F)F.

What is the InChIKey of 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?

The InChIKey is ZAUKDSPWOITLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F9N5O3/c1-10-4-12(5-11(2)17(10)18(38)32-8-16(37)33-9-20(23,24)25)13-7-19(39-35-13,22(29,30)31)15-6-14(21(26,27)28)34-36(15)3/h4-6H,7-9H2,1-3H3,(H,32,38)(H,33,37).

What are the key properties of 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?

2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 573.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 146624305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).