tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane

C70H62Cl9F13N12O10Si2 — CID 160999838

About tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane

tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane (PubChem CID 160999838) has the molecular formula C70H62Cl9F13N12O10Si2 and a molecular weight of 1853.56 g/mol. Its IUPAC name is tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane.

Molecular Properties

• Compound Name: tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane
• PubChem CID: 160999838
• Molecular Formula: C70H62Cl9F13N12O10Si2
• Molecular Weight: 1853.56 g/mol
• Exact Mass: 1848.12
• IUPAC Name: tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane
• SMILES: C.CC(C)(C)[Si](C)(C)OCC(=O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.CC(C)(C)[Si](C)(C)OCC(F)(F)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.OCC(F)(F)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
• InChI: InChI=1S/C25H24Cl3F5N4O3Si.C25H24Cl3F3N4O4Si.C19H10Cl3F5N4O3.CH4/c1-23(2,3)41(4,5)39-12-24(29,30)11-38-19-8-15(26)14(7-16(19)27)20-35-22(40-36-20)18-10-37-9-13(25(31,32)33)6-17(28)21(37)34-18;1-24(2,3)40(4,5)38-12-14(36)11-37-20-8-16(26)15(7-17(20)27)21-33-23(39-34-21)19-10-35-9-13(25(29,30)31)6-18(28)22(35)32-19;20-10-3-14(33-7-18(23,24)6-32)11(21)2-9(10)15-29-17(34-30-15)13-5-31-4-8(19(25,26)27)1-12(22)16(31)28-13;/h6-10H,11-12H2,1-5H3;6-10H,11-12H2,1-5H3;1-5,32H,6-7H2;1H4
• InChIKey: TVSLKXBKRSTZLE-UHFFFAOYSA-N
• XLogP: 23.74
• TPSA: 252.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.56
LogP ≤ 5	23.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane?

The IUPAC name of tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane (CID 160999838) is tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane.

What is the SMILES notation for tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane?

The canonical SMILES for tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane is C.CC(C)(C)[Si](C)(C)OCC(=O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.CC(C)(C)[Si](C)(C)OCC(F)(F)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.OCC(F)(F)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.

What is the InChIKey of tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane?

The InChIKey is TVSLKXBKRSTZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl3F5N4O3Si.C25H24Cl3F3N4O4Si.C19H10Cl3F5N4O3.CH4/c1-23(2,3)41(4,5)39-12-24(29,30)11-38-19-8-15(26)14(7-16(19)27)20-35-22(40-36-20)18-10-37-9-13(25(31,32)33)6-17(28)21(37)34-18;1-24(2,3)40(4,5)38-12-14(36)11-37-20-8-16(26)15(7-17(20)27)21-33-23(39-34-21)19-10-35-9-13(25(29,30)31)6-18(28)22(35)32-19;20-10-3-14(33-7-18(23,24)6-32)11(21)2-9(10)15-29-17(34-30-15)13-5-31-4-8(19(25,26)27)1-12(22)16(31)28-13;/h6-10H,11-12H2,1-5H3;6-10H,11-12H2,1-5H3;1-5,32H,6-7H2;1H4.

What are the key properties of tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane?

tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane has a molecular weight of 1853.56 g/mol, XLogP of 23.74, 22 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropoxy]-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-one;3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol;methane is sourced from PubChem (CID 160999838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).