2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate

C88H82Br2Cl6F18N18O12 — CID 172920935

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate

2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate (PubChem CID 172920935) has the molecular formula C88H82Br2Cl6F18N18O12 and a molecular weight of 2298.23 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate.

Molecular Properties

• Compound Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate
• PubChem CID: 172920935
• Molecular Formula: C88H82Br2Cl6F18N18O12
• Molecular Weight: 2298.23 g/mol
• Exact Mass: 2292.26
• IUPAC Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate
• SMILES: C=C(c1cc(C)nn1C)C(F)(F)F.COC(=O)c1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1Cl.Cc1cc(C2(C)CC(c3ccc(Cl)c(C(=O)NCC(=O)CCC(F)(F)F)c3)=NO2)n(C)n1.Cn1nc(C(F)(F)F)cc1C1(C)CC(c2ccc(Cl)c(Br)c2)=NO1.Cn1nc(C(F)(F)F)cc1C1(C)CC(c2ccc(Cl)c(C(=O)O)c2)=NO1.NCC(=O)NCC(F)(F)F.O/N=C(\Cl)c1ccc(Cl)c(Br)c1
• InChI: InChI=1S/C21H22ClF3N4O3.C17H15ClF3N3O3.C16H13ClF3N3O3.C15H12BrClF3N3O.C8H9F3N2.C7H4BrCl2NO.C4H7F3N2O/c1-12-8-18(29(3)27-12)20(2)10-17(28-32-20)13-4-5-16(22)15(9-13)19(31)26-11-14(30)6-7-21(23,24)25;1-16(14-7-13(17(19,20)21)22-24(14)2)8-12(23-27-16)9-4-5-11(18)10(6-9)15(25)26-3;1-15(13-6-12(16(18,19)20)21-23(13)2)7-11(22-26-15)8-3-4-10(17)9(5-8)14(24)25;1-14(13-6-12(15(18,19)20)21-23(13)2)7-11(22-24-14)8-3-4-10(17)9(16)5-8;1-5-4-7(13(3)12-5)6(2)8(9,10)11;8-5-3-4(7(10)11-12)1-2-6(5)9;5-4(6,7)2-9-3(10)1-8/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,26,31);4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,24,25);3-6H,7H2,1-2H3;4H,2H2,1,3H3;1-3,12H;1-2,8H2,(H,9,10)/b;;;;;11-7-
• InChIKey: DROJXCHXVHSQRV-NKTNXZBFSA-N
• XLogP: 22.11
• TPSA: 372.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2298.23
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate?

The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate (CID 172920935) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate.

What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate?

The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate is C=C(c1cc(C)nn1C)C(F)(F)F.COC(=O)c1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1Cl.Cc1cc(C2(C)CC(c3ccc(Cl)c(C(=O)NCC(=O)CCC(F)(F)F)c3)=NO2)n(C)n1.Cn1nc(C(F)(F)F)cc1C1(C)CC(c2ccc(Cl)c(Br)c2)=NO1.Cn1nc(C(F)(F)F)cc1C1(C)CC(c2ccc(Cl)c(C(=O)O)c2)=NO1.NCC(=O)NCC(F)(F)F.O/N=C(\Cl)c1ccc(Cl)c(Br)c1.

What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate?

The InChIKey is DROJXCHXVHSQRV-NKTNXZBFSA-N. The full InChI is InChI=1S/C21H22ClF3N4O3.C17H15ClF3N3O3.C16H13ClF3N3O3.C15H12BrClF3N3O.C8H9F3N2.C7H4BrCl2NO.C4H7F3N2O/c1-12-8-18(29(3)27-12)20(2)10-17(28-32-20)13-4-5-16(22)15(9-13)19(31)26-11-14(30)6-7-21(23,24)25;1-16(14-7-13(17(19,20)21)22-24(14)2)8-12(23-27-16)9-4-5-11(18)10(6-9)15(25)26-3;1-15(13-6-12(16(18,19)20)21-23(13)2)7-11(22-26-15)8-3-4-10(17)9(5-8)14(24)25;1-14(13-6-12(15(18,19)20)21-23(13)2)7-11(22-24-14)8-3-4-10(17)9(16)5-8;1-5-4-7(13(3)12-5)6(2)8(9,10)11;8-5-3-4(7(10)11-12)1-2-6(5)9;5-4(6,7)2-9-3(10)1-8/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,26,31);4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,24,25);3-6H,7H2,1-2H3;4H,2H2,1,3H3;1-3,12H;1-2,8H2,(H,9,10)/b;;;;;11-7-;.

What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate?

2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate has a molecular weight of 2298.23 g/mol, XLogP of 22.11, 19 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;(1Z)-3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride;3-(3-bromo-4-chlorophenyl)-5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazole;2-chloro-5-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)benzamide;2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 2-chloro-5-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoate is sourced from PubChem (CID 172920935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).