5-methyl-1,3,4-oxadiazole-2-carboxylic acid

C4H4N2O3 — CID 19811946

IUPAC5-methyl-1,3,4-oxadiazole-2-carboxylic acid
SMILESCc1nnc(C(=O)O)o1
InChIInChI=1S/C4H4N2O3/c1-2-5-6-3(9-2)4(7)8/h1H3,(H,7,8)
InChIKeyQPXQPPXGTQABCW-UHFFFAOYSA-N
MW128.09 g/mol
LogP0.08
Rot. Bonds1

About 5-methyl-1,3,4-oxadiazole-2-carboxylic acid

5-methyl-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 19811946) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 5-methyl-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID19811946
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name5-methyl-1,3,4-oxadiazole-2-carboxylic acid
SMILESCc1nnc(C(=O)O)o1
InChIInChI=1S/C4H4N2O3/c1-2-5-6-3(9-2)4(7)8/h1H3,(H,7,8)
InChIKeyQPXQPPXGTQABCW-UHFFFAOYSA-N
XLogP0.08
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-methyl-1,3,4-oxadiazole-2-carboxylic acid (CID 19811946) is 5-methyl-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-1,3,4-oxadiazole-2-carboxylic acid is Cc1nnc(C(=O)O)o1.
What is the InChIKey of 5-methyl-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is QPXQPPXGTQABCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c1-2-5-6-3(9-2)4(7)8/h1H3,(H,7,8).
What are the key properties of 5-methyl-1,3,4-oxadiazole-2-carboxylic acid?
5-methyl-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 128.09 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 19811946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).