3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane

C12H25NO4Si — CID 22104347

IUPAC3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCC1=NCCO1)(OCC)OCC
InChIInChI=1S/C12H25NO4Si/c1-4-15-18(16-5-2,17-6-3)11-7-8-12-13-9-10-14-12/h4-11H2,1-3H3
InChIKeyDPNINKSZNLXICG-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.24
Rot. Bonds10

About 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane

3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane (PubChem CID 22104347) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane
PubChem CID22104347
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCC1=NCCO1)(OCC)OCC
InChIInChI=1S/C12H25NO4Si/c1-4-15-18(16-5-2,17-6-3)11-7-8-12-13-9-10-14-12/h4-11H2,1-3H3
InChIKeyDPNINKSZNLXICG-UHFFFAOYSA-N
XLogP2.24
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane?
The IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane (CID 22104347) is 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane.
What is the SMILES notation for 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane?
The canonical SMILES for 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane is CCO[Si](CCCC1=NCCO1)(OCC)OCC.
What is the InChIKey of 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane?
The InChIKey is DPNINKSZNLXICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-4-15-18(16-5-2,17-6-3)11-7-8-12-13-9-10-14-12/h4-11H2,1-3H3.
What are the key properties of 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane?
3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane has a molecular weight of 275.42 g/mol, XLogP of 2.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane is sourced from PubChem (CID 22104347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).