dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione

C73H59Cl6F15K2N8O19S — CID 157315930

About dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione

dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione (PubChem CID 157315930) has the molecular formula C73H59Cl6F15K2N8O19S and a molecular weight of 1960.26 g/mol. Its IUPAC name is dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione.

Molecular Properties

• Compound Name: dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione
• PubChem CID: 157315930
• Molecular Formula: C73H59Cl6F15K2N8O19S
• Molecular Weight: 1960.26 g/mol
• Exact Mass: 1956.08
• IUPAC Name: dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione
• SMILES: CC1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(C(=O)N3CC(=O)N(CC(F)(F)F)C(=O)C3)c(C(F)(F)F)c2)=NO1.CC1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(C(=O)N3CC(=O)NC(=O)C3)c(C(F)(F)F)c2)=NO1.CC1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(C(=O)O)c(C(F)(F)F)c2)=NO1.CCOS(=O)(=O)C(F)(F)F.O=C1CCCC(=O)N1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C24H17Cl2F6N3O4.C22H16Cl2F3N3O4.C18H12Cl2F3NO3.C5H7NO2.C3H5F3O3S.CH2O3.2K.H/c1-22(13-5-14(25)7-15(26)6-13)8-18(33-39-22)12-2-3-16(17(4-12)24(30,31)32)21(38)34-9-19(36)35(20(37)10-34)11-23(27,28)29;1-21(12-5-13(23)7-14(24)6-12)8-17(29-34-21)11-2-3-15(16(4-11)22(25,26)27)20(33)30-9-18(31)28-19(32)10-30;1-17(10-5-11(19)7-12(20)6-10)8-15(24-27-17)9-2-3-13(16(25)26)14(4-9)18(21,22)23;7-4-2-1-3-5(8)6-4;1-2-9-10(7,8)3(4,5)6;2-1-4-3;;;/h2-7H,8-11H2,1H3;2-7H,8-10H2,1H3,(H,28,31,32);2-7H,8H2,1H3,(H,25,26);1-3H2,(H,6,7,8);2H2,1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: JPLWXLNBYKBAOP-UHFFFAOYSA-M
• XLogP: 8.57
• TPSA: 365.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.26
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione?

The IUPAC name of dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione (CID 157315930) is dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione.

What is the SMILES notation for dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione?

The canonical SMILES for dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione is CC1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(C(=O)N3CC(=O)N(CC(F)(F)F)C(=O)C3)c(C(F)(F)F)c2)=NO1.CC1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(C(=O)N3CC(=O)NC(=O)C3)c(C(F)(F)F)c2)=NO1.CC1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(C(=O)O)c(C(F)(F)F)c2)=NO1.CCOS(=O)(=O)C(F)(F)F.O=C1CCCC(=O)N1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione?

The InChIKey is JPLWXLNBYKBAOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H17Cl2F6N3O4.C22H16Cl2F3N3O4.C18H12Cl2F3NO3.C5H7NO2.C3H5F3O3S.CH2O3.2K.H/c1-22(13-5-14(25)7-15(26)6-13)8-18(33-39-22)12-2-3-16(17(4-12)24(30,31)32)21(38)34-9-19(36)35(20(37)10-34)11-23(27,28)29;1-21(12-5-13(23)7-14(24)6-12)8-17(29-34-21)11-2-3-15(16(4-11)22(25,26)27)20(33)30-9-18(31)28-19(32)10-30;1-17(10-5-11(19)7-12(20)6-10)8-15(24-27-17)9-2-3-13(16(25)26)14(4-9)18(21,22)23;7-4-2-1-3-5(8)6-4;1-2-9-10(7,8)3(4,5)6;2-1-4-3;;;/h2-7H,8-11H2,1H3;2-7H,8-10H2,1H3,(H,28,31,32);2-7H,8H2,1H3,(H,25,26);1-3H2,(H,6,7,8);2H2,1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione?

dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione has a molecular weight of 1960.26 g/mol, XLogP of 8.57, 13 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]piperazine-2,6-dione;4-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione;ethyl trifluoromethanesulfonate;hydride;oxido formate;piperidine-2,6-dione is sourced from PubChem (CID 157315930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).