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

C19H13ClF9N5O3 — CID 146624303

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

2-chloro-5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(trifluoromethylamino)ethyl]benzamide (PubChem CID 146624303) has the molecular formula C19H13ClF9N5O3 and a molecular weight of 565.78 g/mol. Its IUPAC name is 2-chloro-5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(trifluoromethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(trifluoromethylamino)ethyl]benzamide
• PubChem CID: 146624303
• Molecular Formula: C19H13ClF9N5O3
• Molecular Weight: 565.78 g/mol
• Exact Mass: 565.06
• IUPAC Name: 2-chloro-5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(trifluoromethylamino)ethyl]benzamide
• SMILES: Cn1nc(C(F)(F)F)cc1C1(C(F)(F)F)CC(c2ccc(Cl)c(C(=O)NCC(=O)NC(F)(F)F)c2)=NO1
• InChI: InChI=1S/C19H13ClF9N5O3/c1-34-13(5-12(32-34)17(21,22)23)16(18(24,25)26)6-11(33-37-16)8-2-3-10(20)9(4-8)15(36)30-7-14(35)31-19(27,28)29/h2-5H,6-7H2,1H3,(H,30,36)(H,31,35)
• InChIKey: RCOIERWTPULPKN-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 97.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.78
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-chloro-5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(trifluoromethylamino)ethyl]benzamide (CID 146624303) is 2-chloro-5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(trifluoromethylamino)ethyl]benzamide.

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

The canonical SMILES for 2-chloro-5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(trifluoromethylamino)ethyl]benzamide is Cn1nc(C(F)(F)F)cc1C1(C(F)(F)F)CC(c2ccc(Cl)c(C(=O)NCC(=O)NC(F)(F)F)c2)=NO1.

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

The InChIKey is RCOIERWTPULPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF9N5O3/c1-34-13(5-12(32-34)17(21,22)23)16(18(24,25)26)6-11(33-37-16)8-2-3-10(20)9(4-8)15(36)30-7-14(35)31-19(27,28)29/h2-5H,6-7H2,1H3,(H,30,36)(H,31,35).

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

2-chloro-5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(trifluoromethylamino)ethyl]benzamide has a molecular weight of 565.78 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(trifluoromethylamino)ethyl]benzamide is sourced from PubChem (CID 146624303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).