2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate

C107H126Br3ClF9N19O13 — CID 172983920

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate

2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate (PubChem CID 172983920) has the molecular formula C107H126Br3ClF9N19O13 and a molecular weight of 2332.45 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate.

Molecular Properties

• Compound Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate
• PubChem CID: 172983920
• Molecular Formula: C107H126Br3ClF9N19O13
• Molecular Weight: 2332.45 g/mol
• Exact Mass: 2327.69
• IUPAC Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate
• SMILES: C=C(c1cc(C)nn1C)C(F)(F)F.COC(=O)c1c(C)cc(C2=NOC(C)(c3cc(C)nn3C)C2)cc1C.Cc1cc(/C(Cl)=N/O)cc(C)c1Br.Cc1cc(/C=N/O)cc(C)c1Br.Cc1cc(C2(C)CC(c3cc(C)c(Br)c(C)c3)=NO2)n(C)n1.Cc1cc(C2(C)CC(c3cc(C)c(C(=O)CCC(=O)NCC(F)(F)F)c(C)c3)=NO2)n(C)n1.Cc1cc(C2(C)CC(c3cc(C)c(C(=O)O)c(C)c3)=NO2)n(C)n1.NCC(=O)NCC(F)(F)F
• InChI: InChI=1S/C23H27F3N4O3.C19H23N3O3.C18H21N3O3.C17H20BrN3O.C9H9BrClNO.C9H10BrNO.C8H9F3N2.C4H7F3N2O/c1-13-8-16(17-11-22(4,33-29-17)19-10-15(3)28-30(19)5)9-14(2)21(13)18(31)6-7-20(32)27-12-23(24,25)26;1-11-7-14(8-12(2)17(11)18(23)24-6)15-10-19(4,25-21-15)16-9-13(3)20-22(16)5;1-10-6-13(7-11(2)16(10)17(22)23)14-9-18(4,24-20-14)15-8-12(3)19-21(15)5;1-10-6-13(7-11(2)16(10)18)14-9-17(4,22-20-14)15-8-12(3)19-21(15)5;1-5-3-7(9(11)12-13)4-6(2)8(5)10;1-6-3-8(5-11-12)4-7(2)9(6)10;1-5-4-7(13(3)12-5)6(2)8(9,10)11;5-4(6,7)2-9-3(10)1-8/h8-10H,6-7,11-12H2,1-5H3,(H,27,32);7-9H,10H2,1-6H3;6-8H,9H2,1-5H3,(H,22,23);6-8H,9H2,1-5H3;3-4,13H,1-2H3;3-5,12H,1-2H3;4H,2H2,1,3H3;1-2,8H2,(H,9,10)/b;;;;12-9-;11-5+
• InChIKey: OVEYBTBQRXKOOV-LTGDVZKQSA-N
• XLogP: 22.67
• TPSA: 405.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2332.45
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

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;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate?

The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate (CID 172983920) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate.

What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate?

The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate is C=C(c1cc(C)nn1C)C(F)(F)F.COC(=O)c1c(C)cc(C2=NOC(C)(c3cc(C)nn3C)C2)cc1C.Cc1cc(/C(Cl)=N/O)cc(C)c1Br.Cc1cc(/C=N/O)cc(C)c1Br.Cc1cc(C2(C)CC(c3cc(C)c(Br)c(C)c3)=NO2)n(C)n1.Cc1cc(C2(C)CC(c3cc(C)c(C(=O)CCC(=O)NCC(F)(F)F)c(C)c3)=NO2)n(C)n1.Cc1cc(C2(C)CC(c3cc(C)c(C(=O)O)c(C)c3)=NO2)n(C)n1.NCC(=O)NCC(F)(F)F.

What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate?

The InChIKey is OVEYBTBQRXKOOV-LTGDVZKQSA-N. The full InChI is InChI=1S/C23H27F3N4O3.C19H23N3O3.C18H21N3O3.C17H20BrN3O.C9H9BrClNO.C9H10BrNO.C8H9F3N2.C4H7F3N2O/c1-13-8-16(17-11-22(4,33-29-17)19-10-15(3)28-30(19)5)9-14(2)21(13)18(31)6-7-20(32)27-12-23(24,25)26;1-11-7-14(8-12(2)17(11)18(23)24-6)15-10-19(4,25-21-15)16-9-13(3)20-22(16)5;1-10-6-13(7-11(2)16(10)17(22)23)14-9-18(4,24-20-14)15-8-12(3)19-21(15)5;1-10-6-13(7-11(2)16(10)18)14-9-17(4,22-20-14)15-8-12(3)19-21(15)5;1-5-3-7(9(11)12-13)4-6(2)8(5)10;1-6-3-8(5-11-12)4-7(2)9(6)10;1-5-4-7(13(3)12-5)6(2)8(9,10)11;5-4(6,7)2-9-3(10)1-8/h8-10H,6-7,11-12H2,1-5H3,(H,27,32);7-9H,10H2,1-6H3;6-8H,9H2,1-5H3,(H,22,23);6-8H,9H2,1-5H3;3-4,13H,1-2H3;3-5,12H,1-2H3;4H,2H2,1,3H3;1-2,8H2,(H,9,10)/b;;;;12-9-;11-5+;;.

What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate?

2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate has a molecular weight of 2332.45 g/mol, XLogP of 22.67, 20 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;3-(4-bromo-3,5-dimethylphenyl)-5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazole;(NE)-N-[(4-bromo-3,5-dimethylphenyl)methylidene]hydroxylamine;(1Z)-4-bromo-N-hydroxy-3,5-dimethylbenzenecarboximidoyl chloride;4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoic acid;4-[4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylphenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;1,3-dimethyl-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole;methyl 4-[5-(2,5-dimethylpyrazol-3-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2,6-dimethylbenzoate is sourced from PubChem (CID 172983920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).