ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate

C9H15NO3Sn — CID 10040694

IUPACethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc([Sn](C)(C)C)on1
InChIInChI=1S/C6H6NO3.3CH3.Sn/c1-2-9-6(8)5-3-4-10-7-5;;;;/h3H,2H2,1H3;3*1H3;
InChIKeyHGJZFUSSPRNPJR-UHFFFAOYSA-N
MW303.93 g/mol
LogP1.40
Rot. Bonds3

About ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate

ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate (PubChem CID 10040694) has the molecular formula C9H15NO3Sn and a molecular weight of 303.93 g/mol. Its IUPAC name is ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate
PubChem CID10040694
Molecular FormulaC9H15NO3Sn
Molecular Weight303.93 g/mol
Exact Mass305.01
IUPAC Nameethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc([Sn](C)(C)C)on1
InChIInChI=1S/C6H6NO3.3CH3.Sn/c1-2-9-6(8)5-3-4-10-7-5;;;;/h3H,2H2,1H3;3*1H3;
InChIKeyHGJZFUSSPRNPJR-UHFFFAOYSA-N
XLogP1.40
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.93
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate (CID 10040694) is ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc([Sn](C)(C)C)on1.
What is the InChIKey of ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate?
The InChIKey is HGJZFUSSPRNPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO3.3CH3.Sn/c1-2-9-6(8)5-3-4-10-7-5;;;;/h3H,2H2,1H3;3*1H3;.
What are the key properties of ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate?
ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate has a molecular weight of 303.93 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 10040694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).