4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide

C17H12ClF3N4O2 — CID 109222326

About 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide

4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (PubChem CID 109222326) has the molecular formula C17H12ClF3N4O2 and a molecular weight of 396.76 g/mol. Its IUPAC name is 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
• PubChem CID: 109222326
• Molecular Formula: C17H12ClF3N4O2
• Molecular Weight: 396.76 g/mol
• Exact Mass: 396.06
• IUPAC Name: 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2cc(Nc3cc(C(F)(F)F)ccc3Cl)ccn2)no1
• InChI: InChI=1S/C17H12ClF3N4O2/c1-9-6-15(25-27-9)24-16(26)14-8-11(4-5-22-14)23-13-7-10(17(19,20)21)2-3-12(13)18/h2-8H,1H3,(H,22,23)(H,24,25,26)
• InChIKey: SVCMIJJMOVHVCE-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.76
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?

The IUPAC name of 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (CID 109222326) is 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.

What is the SMILES notation for 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?

The canonical SMILES for 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2cc(Nc3cc(C(F)(F)F)ccc3Cl)ccn2)no1.

What is the InChIKey of 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?

The InChIKey is SVCMIJJMOVHVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O2/c1-9-6-15(25-27-9)24-16(26)14-8-11(4-5-22-14)23-13-7-10(17(19,20)21)2-3-12(13)18/h2-8H,1H3,(H,22,23)(H,24,25,26).

What are the key properties of 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?

4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide has a molecular weight of 396.76 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109222326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).