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

C5H5NO4 — CID 19991631

IUPAC5-methoxy-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(C(=O)O)no1
InChIInChI=1S/C5H5NO4/c1-9-4-2-3(5(7)8)6-10-4/h2H,1H3,(H,7,8)
InChIKeyILSRUWJYXCEQCC-UHFFFAOYSA-N
MW143.10 g/mol
LogP0.38
Rot. Bonds2

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

5-methoxy-1,2-oxazole-3-carboxylic acid (PubChem CID 19991631) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is 5-methoxy-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1,2-oxazole-3-carboxylic acid
PubChem CID19991631
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Name5-methoxy-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(C(=O)O)no1
InChIInChI=1S/C5H5NO4/c1-9-4-2-3(5(7)8)6-10-4/h2H,1H3,(H,7,8)
InChIKeyILSRUWJYXCEQCC-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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Related Compounds

3-Isoxazolecarboxylic acid
CID 11286453
Methyl 1,2-oxazole-3-carboxylate
CID 20434963
Ethyl 1,2-oxazole-3-carboxylate
CID 10034712
Ethyl 5-iodo-1,2-oxazole-3-carboxylate
CID 10333172
5-Iodo-1,2-oxazole-3-carboxylic acid
CID 130892566
Methyl 5-(tributylstannyl)-1,2-oxazole-3-carboxylate
CID 132327662
Methyl 5-iodo-1,2-oxazole-3-carboxylate
CID 132343778
Sodium 5-methoxy-1,2-oxazole-3-carboxylate
CID 155821165
Ethyl 5-trimethylstannyl-1,2-oxazole-3-carboxylate
CID 10040694
(3-Methyl-1,2-oxazol-5-yl) hydrogen carbonate
CID 22362025
5-Methoxyisoxazole-3-carbonyl chloride
CID 45081381
5-Tributylstannyl-1,2-oxazole-3-carboxylic acid
CID 66678282

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-methoxy-1,2-oxazole-3-carboxylic acid (CID 19991631) is 5-methoxy-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-methoxy-1,2-oxazole-3-carboxylic acid is COc1cc(C(=O)O)no1.
What is the InChIKey of 5-methoxy-1,2-oxazole-3-carboxylic acid?
The InChIKey is ILSRUWJYXCEQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c1-9-4-2-3(5(7)8)6-10-4/h2H,1H3,(H,7,8).
What are the key properties of 5-methoxy-1,2-oxazole-3-carboxylic acid?
5-methoxy-1,2-oxazole-3-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 5-methoxy-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 19991631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).