tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane

C14H19Cl2N3O2Si — CID 89189159

IUPACtert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nnc(-c2cnc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H19Cl2N3O2Si/c1-14(2,3)22(4,5)20-8-11-18-19-13(21-11)9-6-10(15)12(16)17-7-9/h6-7H,8H2,1-5H3
InChIKeyUDTMCJKQWBAUMD-UHFFFAOYSA-N
MW360.32 g/mol
LogP4.96
Rot. Bonds4

About tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane

tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane (PubChem CID 89189159) has the molecular formula C14H19Cl2N3O2Si and a molecular weight of 360.32 g/mol. Its IUPAC name is tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane
PubChem CID89189159
Molecular FormulaC14H19Cl2N3O2Si
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Nametert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1nnc(-c2cnc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H19Cl2N3O2Si/c1-14(2,3)22(4,5)20-8-11-18-19-13(21-11)9-6-10(15)12(16)17-7-9/h6-7H,8H2,1-5H3
InChIKeyUDTMCJKQWBAUMD-UHFFFAOYSA-N
XLogP4.96
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane (CID 89189159) is tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1nnc(-c2cnc(Cl)c(Cl)c2)o1.
What is the InChIKey of tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane?
The InChIKey is UDTMCJKQWBAUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2Si/c1-14(2,3)22(4,5)20-8-11-18-19-13(21-11)9-6-10(15)12(16)17-7-9/h6-7H,8H2,1-5H3.
What are the key properties of tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane has a molecular weight of 360.32 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 89189159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).