trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

C23H34BN3O5Si — CID 171644704

IUPACtrimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2cc3cnn(COCC[Si](C)(C)C)c3cc2OCc2ccon2)OC1(C)C
InChIInChI=1S/C23H34BN3O5Si/c1-22(2)23(3,4)32-24(31-22)19-12-17-14-25-27(16-28-10-11-33(5,6)7)20(17)13-21(19)29-15-18-8-9-30-26-18/h8-9,12-14H,10-11,15-16H2,1-7H3
InChIKeyMPNJHWNFOZAIOL-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.21
Rot. Bonds9

About trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 171644704) has the molecular formula C23H34BN3O5Si and a molecular weight of 471.44 g/mol. Its IUPAC name is trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID171644704
Molecular FormulaC23H34BN3O5Si
Molecular Weight471.44 g/mol
Exact Mass471.24
IUPAC Nametrimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2cc3cnn(COCC[Si](C)(C)C)c3cc2OCc2ccon2)OC1(C)C
InChIInChI=1S/C23H34BN3O5Si/c1-22(2)23(3,4)32-24(31-22)19-12-17-14-25-27(16-28-10-11-33(5,6)7)20(17)13-21(19)29-15-18-8-9-30-26-18/h8-9,12-14H,10-11,15-16H2,1-7H3
InChIKeyMPNJHWNFOZAIOL-UHFFFAOYSA-N
XLogP4.21
TPSA80.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (CID 171644704) is trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2cc3cnn(COCC[Si](C)(C)C)c3cc2OCc2ccon2)OC1(C)C.
What is the InChIKey of trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is MPNJHWNFOZAIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34BN3O5Si/c1-22(2)23(3,4)32-24(31-22)19-12-17-14-25-27(16-28-10-11-33(5,6)7)20(17)13-21(19)29-15-18-8-9-30-26-18/h8-9,12-14H,10-11,15-16H2,1-7H3.
What are the key properties of trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 471.44 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 171644704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).