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

C17H22BrN3O2Si — CID 168727886

IUPAC2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ncc(-c2nn(COCC[Si](C)(C)C)c3ccc(Br)cc23)o1
InChIInChI=1S/C17H22BrN3O2Si/c1-12-19-10-16(23-12)17-14-9-13(18)5-6-15(14)21(20-17)11-22-7-8-24(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyCNEZLECFWYNXHO-UHFFFAOYSA-N
MW408.37 g/mol
LogP5.07
Rot. Bonds6

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

2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 168727886) has the molecular formula C17H22BrN3O2Si and a molecular weight of 408.37 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID168727886
Molecular FormulaC17H22BrN3O2Si
Molecular Weight408.37 g/mol
Exact Mass407.07
IUPAC Name2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ncc(-c2nn(COCC[Si](C)(C)C)c3ccc(Br)cc23)o1
InChIInChI=1S/C17H22BrN3O2Si/c1-12-19-10-16(23-12)17-14-9-13(18)5-6-15(14)21(20-17)11-22-7-8-24(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyCNEZLECFWYNXHO-UHFFFAOYSA-N
XLogP5.07
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 168727886) is 2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1ncc(-c2nn(COCC[Si](C)(C)C)c3ccc(Br)cc23)o1.
What is the InChIKey of 2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CNEZLECFWYNXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2Si/c1-12-19-10-16(23-12)17-14-9-13(18)5-6-15(14)21(20-17)11-22-7-8-24(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of 2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 408.37 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 168727886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).