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

C5H5NO4 — CID 24860323

IUPAC3-methoxy-1,2-oxazole-4-carboxylic acid
SMILESCOc1nocc1C(=O)O
InChIInChI=1S/C5H5NO4/c1-9-4-3(5(7)8)2-10-6-4/h2H,1H3,(H,7,8)
InChIKeyXKKWVCCBPIBJKS-UHFFFAOYSA-N
MW143.10 g/mol
LogP0.38
Rot. Bonds2

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

3-methoxy-1,2-oxazole-4-carboxylic acid (PubChem CID 24860323) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is 3-methoxy-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1,2-oxazole-4-carboxylic acid
PubChem CID24860323
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Name3-methoxy-1,2-oxazole-4-carboxylic acid
SMILESCOc1nocc1C(=O)O
InChIInChI=1S/C5H5NO4/c1-9-4-3(5(7)8)2-10-6-4/h2H,1H3,(H,7,8)
InChIKeyXKKWVCCBPIBJKS-UHFFFAOYSA-N
XLogP0.38
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-methoxy-1,2-oxazole-4-carboxylic acid (CID 24860323) is 3-methoxy-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-methoxy-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-methoxy-1,2-oxazole-4-carboxylic acid is COc1nocc1C(=O)O.
What is the InChIKey of 3-methoxy-1,2-oxazole-4-carboxylic acid?
The InChIKey is XKKWVCCBPIBJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c1-9-4-3(5(7)8)2-10-6-4/h2H,1H3,(H,7,8).
What are the key properties of 3-methoxy-1,2-oxazole-4-carboxylic acid?
3-methoxy-1,2-oxazole-4-carboxylic acid has a molecular weight of 143.10 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 24860323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).