2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid

C8H13NO3Si — CID 71408500

IUPAC2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c([Si](C)(C)C)o1
InChIInChI=1S/C8H13NO3Si/c1-5-9-6(7(10)11)8(12-5)13(2,3)4/h1-4H3,(H,10,11)
InChIKeyLCCQRWATDJSGNS-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.23
Rot. Bonds2

About 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid

2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid (PubChem CID 71408500) has the molecular formula C8H13NO3Si and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid
PubChem CID71408500
Molecular FormulaC8H13NO3Si
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c([Si](C)(C)C)o1
InChIInChI=1S/C8H13NO3Si/c1-5-9-6(7(10)11)8(12-5)13(2,3)4/h1-4H3,(H,10,11)
InChIKeyLCCQRWATDJSGNS-UHFFFAOYSA-N
XLogP1.23
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid (CID 71408500) is 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid is Cc1nc(C(=O)O)c([Si](C)(C)C)o1.
What is the InChIKey of 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is LCCQRWATDJSGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3Si/c1-5-9-6(7(10)11)8(12-5)13(2,3)4/h1-4H3,(H,10,11).
What are the key properties of 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid?
2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 199.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-trimethylsilyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 71408500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).