sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide

C96H73Cl4F30IN9NaO17 — CID 158516044

About sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide

sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide (PubChem CID 158516044) has the molecular formula C96H73Cl4F30IN9NaO17 and a molecular weight of 2486.33 g/mol. Its IUPAC name is sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide.

Molecular Properties

• Compound Name: sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide
• PubChem CID: 158516044
• Molecular Formula: C96H73Cl4F30IN9NaO17
• Molecular Weight: 2486.33 g/mol
• Exact Mass: 2483.23
• IUPAC Name: sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide
• SMILES: COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C.Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)N1CC(=O)N(CCC(F)(F)F)C(=O)C1.Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)N1CC(=O)NC(=O)C1.Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)O.FC(F)(F)CCI.O=C1CCCC(=O)N1.[Na+].[OH-]
• InChI: InChI=1S/C26H19ClF9N3O4.C23H16ClF6N3O4.C20H14ClF6NO3.C19H12ClF6NO3.C5H7NO2.C3H4F3I.Na.H2O/c1-13-6-14(2-3-18(13)22(42)38-11-20(40)39(21(41)12-38)5-4-24(28,29)30)19-10-23(43-37-19,26(34,35)36)15-7-16(25(31,32)33)9-17(27)8-15;1-11-4-12(2-3-16(11)20(36)33-9-18(34)31-19(35)10-33)17-8-21(37-32-17,23(28,29)30)13-5-14(22(25,26)27)7-15(24)6-13;1-10-5-11(3-4-15(10)17(29)30-2)16-9-18(31-28-16,20(25,26)27)12-6-13(19(22,23)24)8-14(21)7-12;1-9-4-10(2-3-14(9)16(28)29)15-8-17(30-27-15,19(24,25)26)11-5-12(18(21,22)23)7-13(20)6-11;7-4-2-1-3-5(8)6-4;4-3(5,6)1-2-7;;/h2-3,6-9H,4-5,10-12H2,1H3;2-7H,8-10H2,1H3,(H,31,34,35);3-8H,9H2,1-2H3;2-7H,8H2,1H3,(H,28,29);1-3H2,(H,6,7,8);1-2H2;;1H2/q;;;;;;+1;/p-1
• InChIKey: HLQFHNPOSNUBAK-UHFFFAOYSA-M
• XLogP: 21.36
• TPSA: 350.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2486.33
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide?

The IUPAC name of sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide (CID 158516044) is sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide.

What is the SMILES notation for sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide?

The canonical SMILES for sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide is COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C.Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)N1CC(=O)N(CCC(F)(F)F)C(=O)C1.Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)N1CC(=O)NC(=O)C1.Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)O.FC(F)(F)CCI.O=C1CCCC(=O)N1.[Na+].[OH-].

What is the InChIKey of sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide?

The InChIKey is HLQFHNPOSNUBAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H19ClF9N3O4.C23H16ClF6N3O4.C20H14ClF6NO3.C19H12ClF6NO3.C5H7NO2.C3H4F3I.Na.H2O/c1-13-6-14(2-3-18(13)22(42)38-11-20(40)39(21(41)12-38)5-4-24(28,29)30)19-10-23(43-37-19,26(34,35)36)15-7-16(25(31,32)33)9-17(27)8-15;1-11-4-12(2-3-16(11)20(36)33-9-18(34)31-19(35)10-33)17-8-21(37-32-17,23(28,29)30)13-5-14(22(25,26)27)7-15(24)6-13;1-10-5-11(3-4-15(10)17(29)30-2)16-9-18(31-28-16,20(25,26)27)12-6-13(19(22,23)24)8-14(21)7-12;1-9-4-10(2-3-14(9)16(28)29)15-8-17(30-27-15,19(24,25)26)11-5-12(18(21,22)23)7-13(20)6-11;7-4-2-1-3-5(8)6-4;4-3(5,6)1-2-7;;/h2-3,6-9H,4-5,10-12H2,1H3;2-7H,8-10H2,1H3,(H,31,34,35);3-8H,9H2,1-2H3;2-7H,8H2,1H3,(H,28,29);1-3H2,(H,6,7,8);1-2H2;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide?

sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide has a molecular weight of 2486.33 g/mol, XLogP of 21.36, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]piperazine-2,6-dione;4-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-1-(3,3,3-trifluoropropyl)piperazine-2,6-dione;methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate;piperidine-2,6-dione;1,1,1-trifluoro-3-iodopropane;hydroxide is sourced from PubChem (CID 158516044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).