3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H12ClF5N2O2 — CID 46474617

About 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46474617) has the molecular formula C19H12ClF5N2O2 and a molecular weight of 430.76 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 46474617
• Molecular Formula: C19H12ClF5N2O2
• Molecular Weight: 430.76 g/mol
• Exact Mass: 430.05
• IUPAC Name: 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(F)cc1C(F)(F)F
• InChI: InChI=1S/C19H12ClF5N2O2/c1-9-15(17(27-29-9)16-13(20)3-2-4-14(16)22)18(28)26-8-10-5-6-11(21)7-12(10)19(23,24)25/h2-7H,8H2,1H3,(H,26,28)
• InChIKey: KJXYGOPINCPMQA-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.76
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 46474617) is 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(F)cc1C(F)(F)F.

What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is KJXYGOPINCPMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF5N2O2/c1-9-15(17(27-29-9)16-13(20)3-2-4-14(16)22)18(28)26-8-10-5-6-11(21)7-12(10)19(23,24)25/h2-7H,8H2,1H3,(H,26,28).

What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 430.76 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-6-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46474617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).