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

C19H24F3N3O3Si — CID 171644741

IUPACtrimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ncc2cc(CC(F)(F)F)c(OCc3ccon3)cc21
InChIInChI=1S/C19H24F3N3O3Si/c1-29(2,3)7-6-26-13-25-17-9-18(27-12-16-4-5-28-24-16)14(10-19(20,21)22)8-15(17)11-23-25/h4-5,8-9,11H,6-7,10,12-13H2,1-3H3
InChIKeyJTQXXVJTSXOTPO-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.02
Rot. Bonds9

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

trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 171644741) has the molecular formula C19H24F3N3O3Si and a molecular weight of 427.50 g/mol. Its IUPAC name is trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID171644741
Molecular FormulaC19H24F3N3O3Si
Molecular Weight427.50 g/mol
Exact Mass427.15
IUPAC Nametrimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ncc2cc(CC(F)(F)F)c(OCc3ccon3)cc21
InChIInChI=1S/C19H24F3N3O3Si/c1-29(2,3)7-6-26-13-25-17-9-18(27-12-16-4-5-28-24-16)14(10-19(20,21)22)8-15(17)11-23-25/h4-5,8-9,11H,6-7,10,12-13H2,1-3H3
InChIKeyJTQXXVJTSXOTPO-UHFFFAOYSA-N
XLogP5.02
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.02
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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Related Compounds

CID 153278813
CID 153278813
CID 171644717
CID 171644717
CID 171644758
CID 171644758
CID 171644760
CID 171644760
CID 171644781
CID 171644781
CID 171644835
CID 171644835
CID 171644938
CID 171644938
CID 139003103
CID 139003103
CID 171644704
CID 171644704
CID 171644724
CID 171644724
CID 171644749
CID 171644749
CID 171644826
CID 171644826

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane (CID 171644741) is trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ncc2cc(CC(F)(F)F)c(OCc3ccon3)cc21.
What is the InChIKey of trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is JTQXXVJTSXOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3Si/c1-29(2,3)7-6-26-13-25-17-9-18(27-12-16-4-5-28-24-16)14(10-19(20,21)22)8-15(17)11-23-25/h4-5,8-9,11H,6-7,10,12-13H2,1-3H3.
What are the key properties of trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 427.50 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-(1,2-oxazol-3-ylmethoxy)-5-(2,2,2-trifluoroethyl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 171644741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).