(2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate

C24H14Cl4F4N2O3 — CID 172706747

About (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate

(2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 172706747) has the molecular formula C24H14Cl4F4N2O3 and a molecular weight of 596.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

• Compound Name: (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
• PubChem CID: 172706747
• Molecular Formula: C24H14Cl4F4N2O3
• Molecular Weight: 596.19 g/mol
• Exact Mass: 593.97
• IUPAC Name: (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
• SMILES: CC1(C(=O)OCc2ccc(Cl)cc2Cl)CC(c2cc(-c3ncc(C(F)(F)F)cc3Cl)c(F)cc2Cl)=NO1
• InChI: InChI=1S/C24H14Cl4F4N2O3/c1-23(22(35)36-10-11-2-3-13(25)5-16(11)26)8-20(34-37-23)14-6-15(19(29)7-17(14)27)21-18(28)4-12(9-33-21)24(30,31)32/h2-7,9H,8,10H2,1H3
• InChIKey: DRNBIPBPFMQDHM-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 60.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.19
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?

The IUPAC name of (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate (CID 172706747) is (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate.

What is the SMILES notation for (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?

The canonical SMILES for (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate is CC1(C(=O)OCc2ccc(Cl)cc2Cl)CC(c2cc(-c3ncc(C(F)(F)F)cc3Cl)c(F)cc2Cl)=NO1.

What is the InChIKey of (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?

The InChIKey is DRNBIPBPFMQDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl4F4N2O3/c1-23(22(35)36-10-11-2-3-13(25)5-16(11)26)8-20(34-37-23)14-6-15(19(29)7-17(14)27)21-18(28)4-12(9-33-21)24(30,31)32/h2-7,9H,8,10H2,1H3.

What are the key properties of (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?

(2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 596.19 g/mol, XLogP of 8.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 172706747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).