1,3,4-oxadiazole-2,5-dicarboxylate

C4N2O5-2 — CID 140764253

IUPAC1,3,4-oxadiazole-2,5-dicarboxylate
SMILESO=C([O-])c1nnc(C(=O)[O-])o1
InChIInChI=1S/C4H2N2O5/c7-3(8)1-5-6-2(11-1)4(9)10/h(H,7,8)(H,9,10)/p-2
InChIKeyKRQQMJXBSKSXJA-UHFFFAOYSA-L
MW156.05 g/mol
LogP-3.20
Rot. Bonds2

About 1,3,4-oxadiazole-2,5-dicarboxylate

1,3,4-oxadiazole-2,5-dicarboxylate (PubChem CID 140764253) has the molecular formula C4N2O5-2 and a molecular weight of 156.05 g/mol. Its IUPAC name is 1,3,4-oxadiazole-2,5-dicarboxylate.

Molecular Properties

Compound Name1,3,4-oxadiazole-2,5-dicarboxylate
PubChem CID140764253
Molecular FormulaC4N2O5-2
Molecular Weight156.05 g/mol
Exact Mass155.98
IUPAC Name1,3,4-oxadiazole-2,5-dicarboxylate
SMILESO=C([O-])c1nnc(C(=O)[O-])o1
InChIInChI=1S/C4H2N2O5/c7-3(8)1-5-6-2(11-1)4(9)10/h(H,7,8)(H,9,10)/p-2
InChIKeyKRQQMJXBSKSXJA-UHFFFAOYSA-L
XLogP-3.20
TPSA119.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.05
LogP ≤ 5-3.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-oxadiazole-2,5-dicarboxylate?
The IUPAC name of 1,3,4-oxadiazole-2,5-dicarboxylate (CID 140764253) is 1,3,4-oxadiazole-2,5-dicarboxylate.
What is the SMILES notation for 1,3,4-oxadiazole-2,5-dicarboxylate?
The canonical SMILES for 1,3,4-oxadiazole-2,5-dicarboxylate is O=C([O-])c1nnc(C(=O)[O-])o1.
What is the InChIKey of 1,3,4-oxadiazole-2,5-dicarboxylate?
The InChIKey is KRQQMJXBSKSXJA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H2N2O5/c7-3(8)1-5-6-2(11-1)4(9)10/h(H,7,8)(H,9,10)/p-2.
What are the key properties of 1,3,4-oxadiazole-2,5-dicarboxylate?
1,3,4-oxadiazole-2,5-dicarboxylate has a molecular weight of 156.05 g/mol, XLogP of -3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-oxadiazole-2,5-dicarboxylate is sourced from PubChem (CID 140764253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).