ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate

C10H19NO3Si — CID 57243865

IUPACethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(C[Si](C)(C)C)ON1
InChIInChI=1S/C10H19NO3Si/c1-5-13-10(12)9-6-8(14-11-9)7-15(2,3)4/h6,8,11H,5,7H2,1-4H3
InChIKeyCOTVZHBRYDAXQH-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.67
Rot. Bonds4

About ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate

ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 57243865) has the molecular formula C10H19NO3Si and a molecular weight of 229.35 g/mol. Its IUPAC name is ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID57243865
Molecular FormulaC10H19NO3Si
Molecular Weight229.35 g/mol
Exact Mass229.11
IUPAC Nameethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(C[Si](C)(C)C)ON1
InChIInChI=1S/C10H19NO3Si/c1-5-13-10(12)9-6-8(14-11-9)7-15(2,3)4/h6,8,11H,5,7H2,1-4H3
InChIKeyCOTVZHBRYDAXQH-UHFFFAOYSA-N
XLogP1.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate (CID 57243865) is ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=CC(C[Si](C)(C)C)ON1.
What is the InChIKey of ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is COTVZHBRYDAXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3Si/c1-5-13-10(12)9-6-8(14-11-9)7-15(2,3)4/h6,8,11H,5,7H2,1-4H3.
What are the key properties of ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 229.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(trimethylsilylmethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 57243865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).