2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole

C25H32ClF5N4O6S — CID 122590304

About 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole

2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole (PubChem CID 122590304) has the molecular formula C25H32ClF5N4O6S and a molecular weight of 647.06 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole.

Molecular Properties

• Compound Name: 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
• PubChem CID: 122590304
• Molecular Formula: C25H32ClF5N4O6S
• Molecular Weight: 647.06 g/mol
• Exact Mass: 646.17
• IUPAC Name: 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
• SMILES: COCCN(C(=O)CCl)c1c(C)cccc1C.Cn1nc(C(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1OC(F)F
• InChI: InChI=1S/C13H18ClNO2.C12H14F5N3O4S/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14;1-11(2)4-7(19-24-11)25(21,22)5-6-8(12(15,16)17)18-20(3)9(6)23-10(13)14/h4-6H,7-9H2,1-3H3;10H,4-5H2,1-3H3
• InChIKey: FZAKSTHOIXKYQU-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 112.32 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.06
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole?

The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole (CID 122590304) is 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole.

What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole?

The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole is COCCN(C(=O)CCl)c1c(C)cccc1C.Cn1nc(C(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1OC(F)F.

What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole?

The InChIKey is FZAKSTHOIXKYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2.C12H14F5N3O4S/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14;1-11(2)4-7(19-24-11)25(21,22)5-6-8(12(15,16)17)18-20(3)9(6)23-10(13)14/h4-6H,7-9H2,1-3H3;10H,4-5H2,1-3H3.

What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole?

2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole has a molecular weight of 647.06 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole is sourced from PubChem (CID 122590304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).