1,2,5-oxadiazole-3,4-dicarboxylic acid

C4H2N2O5 — CID 1419097

IUPAC1,2,5-oxadiazole-3,4-dicarboxylic acid
SMILESO=C(O)c1nonc1C(=O)O
InChIInChI=1S/C4H2N2O5/c7-3(8)1-2(4(9)10)6-11-5-1/h(H,7,8)(H,9,10)
InChIKeyDVGGYXXTNYZERM-UHFFFAOYSA-N
MW158.07 g/mol
LogP-0.53
Rot. Bonds2

About 1,2,5-oxadiazole-3,4-dicarboxylic acid

1,2,5-oxadiazole-3,4-dicarboxylic acid (PubChem CID 1419097) has the molecular formula C4H2N2O5 and a molecular weight of 158.07 g/mol. Its IUPAC name is 1,2,5-oxadiazole-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1,2,5-oxadiazole-3,4-dicarboxylic acid
PubChem CID1419097
Molecular FormulaC4H2N2O5
Molecular Weight158.07 g/mol
Exact Mass158.00
IUPAC Name1,2,5-oxadiazole-3,4-dicarboxylic acid
SMILESO=C(O)c1nonc1C(=O)O
InChIInChI=1S/C4H2N2O5/c7-3(8)1-2(4(9)10)6-11-5-1/h(H,7,8)(H,9,10)
InChIKeyDVGGYXXTNYZERM-UHFFFAOYSA-N
XLogP-0.53
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-oxadiazole-3,4-dicarboxylic acid?
The IUPAC name of 1,2,5-oxadiazole-3,4-dicarboxylic acid (CID 1419097) is 1,2,5-oxadiazole-3,4-dicarboxylic acid.
What is the SMILES notation for 1,2,5-oxadiazole-3,4-dicarboxylic acid?
The canonical SMILES for 1,2,5-oxadiazole-3,4-dicarboxylic acid is O=C(O)c1nonc1C(=O)O.
What is the InChIKey of 1,2,5-oxadiazole-3,4-dicarboxylic acid?
The InChIKey is DVGGYXXTNYZERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2O5/c7-3(8)1-2(4(9)10)6-11-5-1/h(H,7,8)(H,9,10).
What are the key properties of 1,2,5-oxadiazole-3,4-dicarboxylic acid?
1,2,5-oxadiazole-3,4-dicarboxylic acid has a molecular weight of 158.07 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-oxadiazole-3,4-dicarboxylic acid is sourced from PubChem (CID 1419097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).