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

C5H5NO3 — CID 539404

IUPAC2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)co1
InChIInChI=1S/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
InChIKeyIARMCEYEYXXEOS-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.68
Rot. Bonds1

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

2-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 539404) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID539404
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)co1
InChIInChI=1S/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
InChIKeyIARMCEYEYXXEOS-UHFFFAOYSA-N
XLogP0.68
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-methyl-1,3-oxazole-4-carboxylic acid (CID 539404) is 2-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-1,3-oxazole-4-carboxylic acid is Cc1nc(C(=O)O)co1.
What is the InChIKey of 2-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is IARMCEYEYXXEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8).
What are the key properties of 2-methyl-1,3-oxazole-4-carboxylic acid?
2-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 127.10 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 539404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).