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

C20H26FN3O3Si — CID 171644835

IUPAC2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(C3(F)CC3)c(OCc3ccon3)cc21
InChIInChI=1S/C20H26FN3O3Si/c1-28(2,3)9-8-25-14-24-18-11-19(26-13-16-4-7-27-23-16)17(20(21)5-6-20)10-15(18)12-22-24/h4,7,10-12H,5-6,8-9,13-14H2,1-3H3
InChIKeyBUWOUDNRNOKTTM-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.87
Rot. Bonds9

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

2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171644835) has the molecular formula C20H26FN3O3Si and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID171644835
Molecular FormulaC20H26FN3O3Si
Molecular Weight403.53 g/mol
Exact Mass403.17
IUPAC Name2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(C3(F)CC3)c(OCc3ccon3)cc21
InChIInChI=1S/C20H26FN3O3Si/c1-28(2,3)9-8-25-14-24-18-11-19(26-13-16-4-7-27-23-16)17(20(21)5-6-20)10-15(18)12-22-24/h4,7,10-12H,5-6,8-9,13-14H2,1-3H3
InChIKeyBUWOUDNRNOKTTM-UHFFFAOYSA-N
XLogP4.87
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.87
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-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 171644835) is 2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2cc(C3(F)CC3)c(OCc3ccon3)cc21.
What is the InChIKey of 2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BUWOUDNRNOKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3Si/c1-28(2,3)9-8-25-14-24-18-11-19(26-13-16-4-7-27-23-16)17(20(21)5-6-20)10-15(18)12-22-24/h4,7,10-12H,5-6,8-9,13-14H2,1-3H3.
What are the key properties of 2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 403.53 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171644835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).