ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate

C7H10N2O3 — CID 14998366

IUPACethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(CC)no1
InChIInChI=1S/C7H10N2O3/c1-3-5-8-6(12-9-5)7(10)11-4-2/h3-4H2,1-2H3
InChIKeyBHPIMJOELWDAGZ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.81
Rot. Bonds3

About ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate

ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate (PubChem CID 14998366) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate
PubChem CID14998366
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(CC)no1
InChIInChI=1S/C7H10N2O3/c1-3-5-8-6(12-9-5)7(10)11-4-2/h3-4H2,1-2H3
InChIKeyBHPIMJOELWDAGZ-UHFFFAOYSA-N
XLogP0.81
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate (CID 14998366) is ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(CC)no1.
What is the InChIKey of ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is BHPIMJOELWDAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-5-8-6(12-9-5)7(10)11-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 14998366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).