2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane

C17H22BrN3O3Si — CID 171644724

IUPAC2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)c(OCc3ccon3)cc21
InChIInChI=1S/C17H22BrN3O3Si/c1-25(2,3)7-6-22-12-21-16-9-17(15(18)8-13(16)10-19-21)23-11-14-4-5-24-20-14/h4-5,8-10H,6-7,11-12H2,1-3H3
InChIKeyUEICASXGWVPWOG-UHFFFAOYSA-N
MW424.37 g/mol
LogP4.68
Rot. Bonds8

About 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171644724) has the molecular formula C17H22BrN3O3Si and a molecular weight of 424.37 g/mol. Its IUPAC name is 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID171644724
Molecular FormulaC17H22BrN3O3Si
Molecular Weight424.37 g/mol
Exact Mass423.06
IUPAC Name2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)c(OCc3ccon3)cc21
InChIInChI=1S/C17H22BrN3O3Si/c1-25(2,3)7-6-22-12-21-16-9-17(15(18)8-13(16)10-19-21)23-11-14-4-5-24-20-14/h4-5,8-10H,6-7,11-12H2,1-3H3
InChIKeyUEICASXGWVPWOG-UHFFFAOYSA-N
XLogP4.68
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 171644724) is 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2cc(Br)c(OCc3ccon3)cc21.
What is the InChIKey of 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is UEICASXGWVPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3Si/c1-25(2,3)7-6-22-12-21-16-9-17(15(18)8-13(16)10-19-21)23-11-14-4-5-24-20-14/h4-5,8-10H,6-7,11-12H2,1-3H3.
What are the key properties of 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 424.37 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171644724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).