ethyl 1,2,4-oxadiazole-5-carboxylate

C5H6N2O3 — CID 21498811

IUPACethyl 1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1ncno1
InChIInChI=1S/C5H6N2O3/c1-2-9-5(8)4-6-3-7-10-4/h3H,2H2,1H3
InChIKeyTTWXXJPJXRWTAI-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.25
Rot. Bonds2

About ethyl 1,2,4-oxadiazole-5-carboxylate

ethyl 1,2,4-oxadiazole-5-carboxylate (PubChem CID 21498811) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is ethyl 1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,4-oxadiazole-5-carboxylate
PubChem CID21498811
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Nameethyl 1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1ncno1
InChIInChI=1S/C5H6N2O3/c1-2-9-5(8)4-6-3-7-10-4/h3H,2H2,1H3
InChIKeyTTWXXJPJXRWTAI-UHFFFAOYSA-N
XLogP0.25
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 1,2,4-oxadiazole-5-carboxylate (CID 21498811) is ethyl 1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1ncno1.
What is the InChIKey of ethyl 1,2,4-oxadiazole-5-carboxylate?
The InChIKey is TTWXXJPJXRWTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-2-9-5(8)4-6-3-7-10-4/h3H,2H2,1H3.
What are the key properties of ethyl 1,2,4-oxadiazole-5-carboxylate?
ethyl 1,2,4-oxadiazole-5-carboxylate has a molecular weight of 142.11 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 21498811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).