5-tributylstannyl-1,2-oxazole-3-carboxylic acid

C16H29NO3Sn — CID 66678282

IUPAC5-tributylstannyl-1,2-oxazole-3-carboxylic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(=O)O)no1
InChIInChI=1S/C4H2NO3.3C4H9.Sn/c6-4(7)3-1-2-8-5-3;3*1-3-4-2;/h1H,(H,6,7);3*1,3-4H2,2H3;
InChIKeyYZOXSWLKZGZDRA-UHFFFAOYSA-N
MW402.12 g/mol
LogP4.43
Rot. Bonds11

About 5-tributylstannyl-1,2-oxazole-3-carboxylic acid

5-tributylstannyl-1,2-oxazole-3-carboxylic acid (PubChem CID 66678282) has the molecular formula C16H29NO3Sn and a molecular weight of 402.12 g/mol. Its IUPAC name is 5-tributylstannyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-tributylstannyl-1,2-oxazole-3-carboxylic acid
PubChem CID66678282
Molecular FormulaC16H29NO3Sn
Molecular Weight402.12 g/mol
Exact Mass403.12
IUPAC Name5-tributylstannyl-1,2-oxazole-3-carboxylic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(=O)O)no1
InChIInChI=1S/C4H2NO3.3C4H9.Sn/c6-4(7)3-1-2-8-5-3;3*1-3-4-2;/h1H,(H,6,7);3*1,3-4H2,2H3;
InChIKeyYZOXSWLKZGZDRA-UHFFFAOYSA-N
XLogP4.43
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.12
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tributylstannyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-tributylstannyl-1,2-oxazole-3-carboxylic acid (CID 66678282) is 5-tributylstannyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-tributylstannyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-tributylstannyl-1,2-oxazole-3-carboxylic acid is CCCC[Sn](CCCC)(CCCC)c1cc(C(=O)O)no1.
What is the InChIKey of 5-tributylstannyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is YZOXSWLKZGZDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2NO3.3C4H9.Sn/c6-4(7)3-1-2-8-5-3;3*1-3-4-2;/h1H,(H,6,7);3*1,3-4H2,2H3;.
What are the key properties of 5-tributylstannyl-1,2-oxazole-3-carboxylic acid?
5-tributylstannyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 402.12 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tributylstannyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 66678282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).