2-acetyl-1,3-oxazole-4-carboxylic acid

C6H5NO4 — CID 67168521

IUPAC2-acetyl-1,3-oxazole-4-carboxylic acid
SMILESCC(=O)c1nc(C(=O)O)co1
InChIInChI=1S/C6H5NO4/c1-3(8)5-7-4(2-11-5)6(9)10/h2H,1H3,(H,9,10)
InChIKeyFUUORIMCDRZNGJ-UHFFFAOYSA-N
MW155.11 g/mol
LogP0.58
Rot. Bonds2

About 2-acetyl-1,3-oxazole-4-carboxylic acid

2-acetyl-1,3-oxazole-4-carboxylic acid (PubChem CID 67168521) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is 2-acetyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-1,3-oxazole-4-carboxylic acid
PubChem CID67168521
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name2-acetyl-1,3-oxazole-4-carboxylic acid
SMILESCC(=O)c1nc(C(=O)O)co1
InChIInChI=1S/C6H5NO4/c1-3(8)5-7-4(2-11-5)6(9)10/h2H,1H3,(H,9,10)
InChIKeyFUUORIMCDRZNGJ-UHFFFAOYSA-N
XLogP0.58
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-acetyl-1,3-oxazole-4-carboxylic acid (CID 67168521) is 2-acetyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-acetyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-acetyl-1,3-oxazole-4-carboxylic acid is CC(=O)c1nc(C(=O)O)co1.
What is the InChIKey of 2-acetyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is FUUORIMCDRZNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c1-3(8)5-7-4(2-11-5)6(9)10/h2H,1H3,(H,9,10).
What are the key properties of 2-acetyl-1,3-oxazole-4-carboxylic acid?
2-acetyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 67168521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).