4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide

C24H19Cl2F6N5O2 — CID 163397955

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide (PubChem CID 163397955) has the molecular formula C24H19Cl2F6N5O2 and a molecular weight of 594.34 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide
• PubChem CID: 163397955
• Molecular Formula: C24H19Cl2F6N5O2
• Molecular Weight: 594.34 g/mol
• Exact Mass: 593.08
• IUPAC Name: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide
• SMILES: Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)Nc1nc(CCC(F)(F)F)n(C)n1
• InChI: InChI=1S/C24H19Cl2F6N5O2/c1-12-7-13(18-11-22(39-36-18,24(30,31)32)14-8-15(25)10-16(26)9-14)3-4-17(12)20(38)34-21-33-19(37(2)35-21)5-6-23(27,28)29/h3-4,7-10H,5-6,11H2,1-2H3,(H,34,35,38)
• InChIKey: NRKZNXAKGKBSSY-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 81.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.34
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide?

The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide (CID 163397955) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide.

What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide?

The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)Nc1nc(CCC(F)(F)F)n(C)n1.

What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide?

The InChIKey is NRKZNXAKGKBSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F6N5O2/c1-12-7-13(18-11-22(39-36-18,24(30,31)32)14-8-15(25)10-16(26)9-14)3-4-17(12)20(38)34-21-33-19(37(2)35-21)5-6-23(27,28)29/h3-4,7-10H,5-6,11H2,1-2H3,(H,34,35,38).

What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide?

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide has a molecular weight of 594.34 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 163397955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).