3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol

C108H123F15N4O13Si3 — CID 160970889

About 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol

3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol (PubChem CID 160970889) has the molecular formula C108H123F15N4O13Si3 and a molecular weight of 2054.41 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol.

Molecular Properties

• Compound Name: 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
• PubChem CID: 160970889
• Molecular Formula: C108H123F15N4O13Si3
• Molecular Weight: 2054.41 g/mol
• Exact Mass: 2052.82
• IUPAC Name: 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
• SMILES: CC(C)(C)[Si](C)(C)OC(CC(=O)O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.CCOC(=O)CC(O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.CCOC(=O)CC(O[Si](C)(C)C(C)(C)C)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.CCc1nnc(CC(O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)o1.CCc1nnc(CC(O[Si](C)(C)C(C)(C)C)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)o1
• InChI: InChI=1S/C25H31F3N2O2Si.C24H31F3O3Si.C22H27F3O3Si.C19H17F3N2O2.C18H17F3O3/c1-7-22-29-30-23(31-22)16-21(32-33(5,6)24(2,3)4)19-10-8-9-18(15-19)17-11-13-20(14-12-17)25(26,27)28;1-7-29-22(28)16-21(30-31(5,6)23(2,3)4)19-10-8-9-18(15-19)17-11-13-20(14-12-17)24(25,26)27;1-21(2,3)29(4,5)28-19(14-20(26)27)17-8-6-7-16(13-17)15-9-11-18(12-10-15)22(23,24)25;1-2-17-23-24-18(26-17)11-16(25)14-5-3-4-13(10-14)12-6-8-15(9-7-12)19(20,21)22;1-2-24-17(23)11-16(22)14-5-3-4-13(10-14)12-6-8-15(9-7-12)18(19,20)21/h8-15,21H,7,16H2,1-6H3;8-15,21H,7,16H2,1-6H3;6-13,19H,14H2,1-5H3,(H,26,27);3-10,16,25H,2,11H2,1H3;3-10,16,22H,2,11H2,1H3
• InChIKey: SYFTZKPUDMZBRR-UHFFFAOYSA-N
• XLogP: 30.87
• TPSA: 235.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.41
LogP ≤ 5	30.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?

The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol (CID 160970889) is 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol.

What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?

The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol is CC(C)(C)[Si](C)(C)OC(CC(=O)O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.CCOC(=O)CC(O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.CCOC(=O)CC(O[Si](C)(C)C(C)(C)C)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.CCc1nnc(CC(O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)o1.CCc1nnc(CC(O[Si](C)(C)C(C)(C)C)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)o1.

What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?

The InChIKey is SYFTZKPUDMZBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O2Si.C24H31F3O3Si.C22H27F3O3Si.C19H17F3N2O2.C18H17F3O3/c1-7-22-29-30-23(31-22)16-21(32-33(5,6)24(2,3)4)19-10-8-9-18(15-19)17-11-13-20(14-12-17)25(26,27)28;1-7-29-22(28)16-21(30-31(5,6)23(2,3)4)19-10-8-9-18(15-19)17-11-13-20(14-12-17)24(25,26)27;1-21(2,3)29(4,5)28-19(14-20(26)27)17-8-6-7-16(13-17)15-9-11-18(12-10-15)22(23,24)25;1-2-17-23-24-18(26-17)11-16(25)14-5-3-4-13(10-14)12-6-8-15(9-7-12)19(20,21)22;1-2-24-17(23)11-16(22)14-5-3-4-13(10-14)12-6-8-15(9-7-12)18(19,20)21/h8-15,21H,7,16H2,1-6H3;8-15,21H,7,16H2,1-6H3;6-13,19H,14H2,1-5H3,(H,26,27);3-10,16,25H,2,11H2,1H3;3-10,16,22H,2,11H2,1H3.

What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?

3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol has a molecular weight of 2054.41 g/mol, XLogP of 30.87, 30 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 160970889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).