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

C25H24Cl3F3N4O4Si — CID 46235156

IUPAC1-[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
SMILESCC(C)(C)[Si](C)(C)OCC(=O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C25H24Cl3F3N4O4Si/c1-24(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/h6-10H,11-12H2,1-5H3
InChIKeyNNBDAQMWSRLYAO-UHFFFAOYSA-N
MW635.93 g/mol
LogP8.00
Rot. Bonds8

About 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

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 (PubChem CID 46235156) has the molecular formula C25H24Cl3F3N4O4Si and a molecular weight of 635.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID46235156
Molecular FormulaC25H24Cl3F3N4O4Si
Molecular Weight635.93 g/mol
Exact Mass634.06
IUPAC Name1-[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
SMILESCC(C)(C)[Si](C)(C)OCC(=O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C25H24Cl3F3N4O4Si/c1-24(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/h6-10H,11-12H2,1-5H3
InChIKeyNNBDAQMWSRLYAO-UHFFFAOYSA-N
XLogP8.00
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.93
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 46235156) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[Si](C)(C)OCC(=O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.
What is the InChIKey of 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?
The InChIKey is NNBDAQMWSRLYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl3F3N4O4Si/c1-24(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/h6-10H,11-12H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 635.93 g/mol, XLogP of 8.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46235156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).