1,2-oxazol-3-ylmethoxysilane

C4H7NO2Si — CID 154064682

IUPAC1,2-oxazol-3-ylmethoxysilane
SMILES[SiH3]OCc1ccon1
InChIInChI=1S/C4H7NO2Si/c8-7-3-4-1-2-6-5-4/h1-2H,3H2,8H3
InChIKeyLPBXFECGTRYGEY-UHFFFAOYSA-N
MW129.19 g/mol
LogP-0.53
Rot. Bonds2

About 1,2-oxazol-3-ylmethoxysilane

1,2-oxazol-3-ylmethoxysilane (PubChem CID 154064682) has the molecular formula C4H7NO2Si and a molecular weight of 129.19 g/mol. Its IUPAC name is 1,2-oxazol-3-ylmethoxysilane.

Molecular Properties

Compound Name1,2-oxazol-3-ylmethoxysilane
PubChem CID154064682
Molecular FormulaC4H7NO2Si
Molecular Weight129.19 g/mol
Exact Mass129.02
IUPAC Name1,2-oxazol-3-ylmethoxysilane
SMILES[SiH3]OCc1ccon1
InChIInChI=1S/C4H7NO2Si/c8-7-3-4-1-2-6-5-4/h1-2H,3H2,8H3
InChIKeyLPBXFECGTRYGEY-UHFFFAOYSA-N
XLogP-0.53
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methylisoxazole
CID 96098
1,2-Oxazol-3-ylmethanol
CID 12905096
1,2-Oxazole-3-carbaldehyde
CID 18373078
Fluoromethylisoxazole
CID 20077094
Difluoromethylisoxazole
CID 121273798
3-Ethenyl-1,2-oxazole
CID 11018809
Isoxazolyl-oxazoline
CID 18989369
Dioxymethylfurazan
CID 66718249
Butynylisoxazole
CID 139214149
3-Prop-1-ynyl-1,2-oxazole
CID 10219396
3-(2-Chloroethoxymethyl)isoxazole
CID 20557662
3-(Methoxymethyl)-1,2-oxazole
CID 23080901

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-ylmethoxysilane?
The IUPAC name of 1,2-oxazol-3-ylmethoxysilane (CID 154064682) is 1,2-oxazol-3-ylmethoxysilane.
What is the SMILES notation for 1,2-oxazol-3-ylmethoxysilane?
The canonical SMILES for 1,2-oxazol-3-ylmethoxysilane is [SiH3]OCc1ccon1.
What is the InChIKey of 1,2-oxazol-3-ylmethoxysilane?
The InChIKey is LPBXFECGTRYGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2Si/c8-7-3-4-1-2-6-5-4/h1-2H,3H2,8H3.
What are the key properties of 1,2-oxazol-3-ylmethoxysilane?
1,2-oxazol-3-ylmethoxysilane has a molecular weight of 129.19 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-ylmethoxysilane is sourced from PubChem (CID 154064682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).