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

C5H5NO3 — CID 46737736

IUPAC4-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1coc(C(=O)O)n1
InChIInChI=1S/C5H5NO3/c1-3-2-9-4(6-3)5(7)8/h2H,1H3,(H,7,8)
InChIKeyDQNBHCVJLBBYRW-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.68
Rot. Bonds1

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

4-methyl-1,3-oxazole-2-carboxylic acid (PubChem CID 46737736) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 4-methyl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1,3-oxazole-2-carboxylic acid
PubChem CID46737736
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name4-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1coc(C(=O)O)n1
InChIInChI=1S/C5H5NO3/c1-3-2-9-4(6-3)5(7)8/h2H,1H3,(H,7,8)
InChIKeyDQNBHCVJLBBYRW-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 4-methyl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-methyl-1,3-oxazole-2-carboxylic acid (CID 46737736) is 4-methyl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-methyl-1,3-oxazole-2-carboxylic acid is Cc1coc(C(=O)O)n1.
What is the InChIKey of 4-methyl-1,3-oxazole-2-carboxylic acid?
The InChIKey is DQNBHCVJLBBYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c1-3-2-9-4(6-3)5(7)8/h2H,1H3,(H,7,8).
What are the key properties of 4-methyl-1,3-oxazole-2-carboxylic acid?
4-methyl-1,3-oxazole-2-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 4-methyl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 46737736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).