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

C10H10N2O4 — CID 104798232

IUPACethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2occc2C)no1
InChIInChI=1S/C10H10N2O4/c1-3-14-10(13)9-11-8(12-16-9)7-6(2)4-5-15-7/h4-5H,3H2,1-2H3
InChIKeyLYGZYUKKGKFTMW-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.81
Rot. Bonds3

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

ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 104798232) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID104798232
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Nameethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2occc2C)no1
InChIInChI=1S/C10H10N2O4/c1-3-14-10(13)9-11-8(12-16-9)7-6(2)4-5-15-7/h4-5H,3H2,1-2H3
InChIKeyLYGZYUKKGKFTMW-UHFFFAOYSA-N
XLogP1.81
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate (CID 104798232) is ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(-c2occc2C)no1.
What is the InChIKey of ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is LYGZYUKKGKFTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-3-14-10(13)9-11-8(12-16-9)7-6(2)4-5-15-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 222.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 104798232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).