4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide

C24H20F9N3O3 — CID 25217716

About 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide

4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 25217716) has the molecular formula C24H20F9N3O3 and a molecular weight of 569.42 g/mol. Its IUPAC name is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
• PubChem CID: 25217716
• Molecular Formula: C24H20F9N3O3
• Molecular Weight: 569.42 g/mol
• Exact Mass: 569.14
• IUPAC Name: 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
• SMILES: CCNC(=O)C(C)NC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1
• InChI: InChI=1S/C24H20F9N3O3/c1-3-34-19(37)12(2)35-20(38)14-6-4-13(5-7-14)18-11-21(39-36-18,24(31,32)33)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h4-10,12H,3,11H2,1-2H3,(H,34,37)(H,35,38)
• InChIKey: XZCPQKBLUXACHZ-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.42
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?

The IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide (CID 25217716) is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide.

What is the SMILES notation for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?

The canonical SMILES for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide is CCNC(=O)C(C)NC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1.

What is the InChIKey of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?

The InChIKey is XZCPQKBLUXACHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F9N3O3/c1-3-34-19(37)12(2)35-20(38)14-6-4-13(5-7-14)18-11-21(39-36-18,24(31,32)33)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h4-10,12H,3,11H2,1-2H3,(H,34,37)(H,35,38).

What are the key properties of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?

4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 569.42 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 25217716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).