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-ol

C25H26Cl3F3N4O4Si — CID 46235157

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-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C25H26Cl3F3N4O4Si/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/h6-10,14,36H,11-12H2,1-5H3
InChIKeyJJNBRJLNWKEBJA-UHFFFAOYSA-N
MW637.95 g/mol
LogP7.79
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-ol

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-ol (PubChem CID 46235157) has the molecular formula C25H26Cl3F3N4O4Si and a molecular weight of 637.95 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-ol.

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-ol
PubChem CID46235157
Molecular FormulaC25H26Cl3F3N4O4Si
Molecular Weight637.95 g/mol
Exact Mass636.07
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-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C25H26Cl3F3N4O4Si/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/h6-10,14,36H,11-12H2,1-5H3
InChIKeyJJNBRJLNWKEBJA-UHFFFAOYSA-N
XLogP7.79
TPSA94.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.95
LogP ≤ 57.79
H-Bond Donors ≤ 51
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-ol?
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-ol (CID 46235157) 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-ol.
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-ol?
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-ol 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-ol?
The InChIKey is JJNBRJLNWKEBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl3F3N4O4Si/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/h6-10,14,36H,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-ol?
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-ol has a molecular weight of 637.95 g/mol, XLogP of 7.79, 8 rotatable bonds, 1 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-ol is sourced from PubChem (CID 46235157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).