2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide

C23H20ClF3N6O5S — CID 58244192

About 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide

2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide (PubChem CID 58244192) has the molecular formula C23H20ClF3N6O5S and a molecular weight of 584.96 g/mol. Its IUPAC name is 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide
• PubChem CID: 58244192
• Molecular Formula: C23H20ClF3N6O5S
• Molecular Weight: 584.96 g/mol
• Exact Mass: 584.09
• IUPAC Name: 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide
• SMILES: Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(Cl)cc1-c1nc(C(=O)NS(N)(=O)=O)co1
• InChI: InChI=1S/C23H20ClF3N6O5S/c1-22(2,21-31-30-18(33(21)3)13-6-4-5-7-15(13)23(25,26)27)38-17-9-8-12(24)10-14(17)20-29-16(11-37-20)19(34)32-39(28,35)36/h4-11H,1-3H3,(H,32,34)(H2,28,35,36)
• InChIKey: IJGZCPLLFWHFAD-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 155.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.96
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide (CID 58244192) is 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide is Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(Cl)cc1-c1nc(C(=O)NS(N)(=O)=O)co1.

What is the InChIKey of 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide?

The InChIKey is IJGZCPLLFWHFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N6O5S/c1-22(2,21-31-30-18(33(21)3)13-6-4-5-7-15(13)23(25,26)27)38-17-9-8-12(24)10-14(17)20-29-16(11-37-20)19(34)32-39(28,35)36/h4-11H,1-3H3,(H,32,34)(H2,28,35,36).

What are the key properties of 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide?

2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide has a molecular weight of 584.96 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-N-sulfamoyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58244192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).