potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate

C37H23Cl4F12KN2O8 — CID 162111628

IUPACpotassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate
SMILESCOC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.O.O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.[K+].[OH-]
InChIInChI=1S/C19H11Cl2F6NO3.C18H9Cl2F6NO3.K.2H2O/c1-30-16(29)13-3-2-9(4-14(13)18(22,23)24)15-8-17(31-28-15,19(25,26)27)10-5-11(20)7-12(21)6-10;19-10-4-9(5-11(20)6-10)16(18(24,25)26)7-14(27-30-16)8-1-2-12(15(28)29)13(3-8)17(21,22)23;;;/h2-7H,8H2,1H3;1-6H,7H2,(H,28,29);;2*1H2/q;;+1;;/p-1
InChIKeyKWEDYQCNFZVBOA-UHFFFAOYSA-M
MW1032.48 g/mol
LogP8.68
Rot. Bonds6

About potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate

potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate (PubChem CID 162111628) has the molecular formula C37H23Cl4F12KN2O8 and a molecular weight of 1032.48 g/mol. Its IUPAC name is potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate.

Molecular Properties

Compound Namepotassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate
PubChem CID162111628
Molecular FormulaC37H23Cl4F12KN2O8
Molecular Weight1032.48 g/mol
Exact Mass1029.97
IUPAC Namepotassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate
SMILESCOC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.O.O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.[K+].[OH-]
InChIInChI=1S/C19H11Cl2F6NO3.C18H9Cl2F6NO3.K.2H2O/c1-30-16(29)13-3-2-9(4-14(13)18(22,23)24)15-8-17(31-28-15,19(25,26)27)10-5-11(20)7-12(21)6-10;19-10-4-9(5-11(20)6-10)16(18(24,25)26)7-14(27-30-16)8-1-2-12(15(28)29)13(3-8)17(21,22)23;;;/h2-7H,8H2,1H3;1-6H,7H2,(H,28,29);;2*1H2/q;;+1;;/p-1
InChIKeyKWEDYQCNFZVBOA-UHFFFAOYSA-M
XLogP8.68
TPSA168.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.48
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate with MolForge

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Related Compounds

methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 59563501
ethane;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 143943224
methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-phenylbenzoate
CID 66785131
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;hydrochloride
CID 87260577
methyl 2-(bromomethyl)-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzoate
CID 87247213
2-(bromomethyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzoic acid
CID 87529950
methyl 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2-hydroxyiminoacetate
CID 173073852
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethoxymethyl)benzamide
CID 25217023
4-[5-(3,5-dichloro-4-cyanophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid
CID 67246928
5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 58223544
4-[5-(3-amino-5-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 178099924
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methoxypyridine-2-carboxamide
CID 164897860

Frequently Asked Questions

What is the IUPAC name of potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate?
The IUPAC name of potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate (CID 162111628) is potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate.
What is the SMILES notation for potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate?
The canonical SMILES for potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate is COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.O.O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.[K+].[OH-].
What is the InChIKey of potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate?
The InChIKey is KWEDYQCNFZVBOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H11Cl2F6NO3.C18H9Cl2F6NO3.K.2H2O/c1-30-16(29)13-3-2-9(4-14(13)18(22,23)24)15-8-17(31-28-15,19(25,26)27)10-5-11(20)7-12(21)6-10;19-10-4-9(5-11(20)6-10)16(18(24,25)26)7-14(27-30-16)8-1-2-12(15(28)29)13(3-8)17(21,22)23;;;/h2-7H,8H2,1H3;1-6H,7H2,(H,28,29);;2*1H2/q;;+1;;/p-1.
What are the key properties of potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate?
potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate has a molecular weight of 1032.48 g/mol, XLogP of 8.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoic acid;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-(trifluoromethyl)benzoate;hydroxide;hydrate is sourced from PubChem (CID 162111628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).