ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate

C7H10N2O4 — CID 63358121

IUPACethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(COC)no1
InChIInChI=1S/C7H10N2O4/c1-3-12-7(10)6-8-5(4-11-2)9-13-6/h3-4H2,1-2H3
InChIKeyQKHYKAJPDPQILW-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.39
Rot. Bonds4

About ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate

ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 63358121) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID63358121
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Nameethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(COC)no1
InChIInChI=1S/C7H10N2O4/c1-3-12-7(10)6-8-5(4-11-2)9-13-6/h3-4H2,1-2H3
InChIKeyQKHYKAJPDPQILW-UHFFFAOYSA-N
XLogP0.39
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate (CID 63358121) is ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(COC)no1.
What is the InChIKey of ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is QKHYKAJPDPQILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-3-12-7(10)6-8-5(4-11-2)9-13-6/h3-4H2,1-2H3.
What are the key properties of ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 186.17 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 63358121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).