trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane

C16H20N4O4Si — CID 168728003

IUPACtrimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2cnco2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H20N4O4Si/c1-25(2,3)7-6-23-11-19-14-5-4-12(20(21)22)8-13(14)16(18-19)15-9-17-10-24-15/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyIQMCXWRFVDOFRU-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.91
Rot. Bonds7

About trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 168728003) has the molecular formula C16H20N4O4Si and a molecular weight of 360.45 g/mol. Its IUPAC name is trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID168728003
Molecular FormulaC16H20N4O4Si
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Nametrimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2cnco2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H20N4O4Si/c1-25(2,3)7-6-23-11-19-14-5-4-12(20(21)22)8-13(14)16(18-19)15-9-17-10-24-15/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyIQMCXWRFVDOFRU-UHFFFAOYSA-N
XLogP3.91
TPSA96.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 147395675
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890
2-[(3-isocyano-5-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;3-isocyano-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 160667224
3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)-5-nitroindazole
CID 22479987
N-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-nitro-N-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]benzenesulfonamide
CID 168727972
2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727968
1-[methyl-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 168728047
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
3-iodo-1-(2-methoxyethoxymethyl)-5-nitroindazole
CID 22147941
4-cyano-N-[3-(3-nitrophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]benzamide
CID 170562660

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane (CID 168728003) is trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(-c2cnco2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is IQMCXWRFVDOFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4Si/c1-25(2,3)7-6-23-11-19-14-5-4-12(20(21)22)8-13(14)16(18-19)15-9-17-10-24-15/h4-5,8-10H,6-7,11H2,1-3H3.
What are the key properties of trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 360.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 168728003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).