silyl isoxazole

C3H2NOSi — CID 22121125

IUPAC—
SMILES[Si]c1ccon1
InChIInChI=1S/C3H2NOSi/c6-3-1-2-5-4-3/h1-2H
InChIKeyVJRZJPKROVXTSM-UHFFFAOYSA-N
MW96.14 g/mol
LogP-0.53
Rot. Bonds

About silyl isoxazole

silyl isoxazole (PubChem CID 22121125) has the molecular formula C3H2NOSi and a molecular weight of 96.14 g/mol.

Molecular Properties

Compound Namesilyl isoxazole
PubChem CID22121125
Molecular FormulaC3H2NOSi
Molecular Weight96.14 g/mol
Exact Mass95.99
IUPAC Name—
SMILES[Si]c1ccon1
InChIInChI=1S/C3H2NOSi/c6-3-1-2-5-4-3/h1-2H
InChIKeyVJRZJPKROVXTSM-UHFFFAOYSA-N
XLogP-0.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 silyl isoxazole?
The IUPAC name of silyl isoxazole (CID 22121125) is not available.
What is the SMILES notation for silyl isoxazole?
The canonical SMILES for silyl isoxazole is [Si]c1ccon1.
What is the InChIKey of silyl isoxazole?
The InChIKey is VJRZJPKROVXTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2NOSi/c6-3-1-2-5-4-3/h1-2H.
What are the key properties of silyl isoxazole?
silyl isoxazole has a molecular weight of 96.14 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl isoxazole is sourced from PubChem (CID 22121125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).