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

C8H10N2O5 — CID 1419102

IUPACdiethyl 1,2,5-oxadiazole-3,4-dicarboxylate
SMILESCCOC(=O)c1nonc1C(=O)OCC
InChIInChI=1S/C8H10N2O5/c1-3-13-7(11)5-6(10-15-9-5)8(12)14-4-2/h3-4H2,1-2H3
InChIKeyGWQHRMDHUWRYPI-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.42
Rot. Bonds4

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

diethyl 1,2,5-oxadiazole-3,4-dicarboxylate (PubChem CID 1419102) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is diethyl 1,2,5-oxadiazole-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,2,5-oxadiazole-3,4-dicarboxylate
PubChem CID1419102
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Namediethyl 1,2,5-oxadiazole-3,4-dicarboxylate
SMILESCCOC(=O)c1nonc1C(=O)OCC
InChIInChI=1S/C8H10N2O5/c1-3-13-7(11)5-6(10-15-9-5)8(12)14-4-2/h3-4H2,1-2H3
InChIKeyGWQHRMDHUWRYPI-UHFFFAOYSA-N
XLogP0.42
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze diethyl 1,2,5-oxadiazole-3,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 1,2,5-oxadiazole-3,4-dicarboxylate?
The IUPAC name of diethyl 1,2,5-oxadiazole-3,4-dicarboxylate (CID 1419102) is diethyl 1,2,5-oxadiazole-3,4-dicarboxylate.
What is the SMILES notation for diethyl 1,2,5-oxadiazole-3,4-dicarboxylate?
The canonical SMILES for diethyl 1,2,5-oxadiazole-3,4-dicarboxylate is CCOC(=O)c1nonc1C(=O)OCC.
What is the InChIKey of diethyl 1,2,5-oxadiazole-3,4-dicarboxylate?
The InChIKey is GWQHRMDHUWRYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-3-13-7(11)5-6(10-15-9-5)8(12)14-4-2/h3-4H2,1-2H3.
What are the key properties of diethyl 1,2,5-oxadiazole-3,4-dicarboxylate?
diethyl 1,2,5-oxadiazole-3,4-dicarboxylate has a molecular weight of 214.18 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,2,5-oxadiazole-3,4-dicarboxylate is sourced from PubChem (CID 1419102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).