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

C18H33NO3Sn — CID 2763256

IUPACethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(=O)OCC)no1
InChIInChI=1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;
InChIKeyLDFBGRFJCWKQCA-UHFFFAOYSA-N
MW430.18 g/mol
LogP4.91
Rot. Bonds12

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

ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate (PubChem CID 2763256) has the molecular formula C18H33NO3Sn and a molecular weight of 430.18 g/mol. Its IUPAC name is ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate
PubChem CID2763256
Molecular FormulaC18H33NO3Sn
Molecular Weight430.18 g/mol
Exact Mass431.15
IUPAC Nameethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(=O)OCC)no1
InChIInChI=1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;
InChIKeyLDFBGRFJCWKQCA-UHFFFAOYSA-N
XLogP4.91
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.18
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate (CID 2763256) is ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate is CCCC[Sn](CCCC)(CCCC)c1cc(C(=O)OCC)no1.
What is the InChIKey of ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate?
The InChIKey is LDFBGRFJCWKQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate?
ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate has a molecular weight of 430.18 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2763256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).