ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate

C14H18N2O4 — CID 79471715

IUPACethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(-c2ccco2)no1
InChIInChI=1S/C14H18N2O4/c1-4-14(5-2,13(17)18-6-3)12-15-11(16-20-12)10-8-7-9-19-10/h7-9H,4-6H2,1-3H3
InChIKeyNHHTXWSRKKVEPU-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.95
Rot. Bonds6

About ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate

ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate (PubChem CID 79471715) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate
PubChem CID79471715
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(-c2ccco2)no1
InChIInChI=1S/C14H18N2O4/c1-4-14(5-2,13(17)18-6-3)12-15-11(16-20-12)10-8-7-9-19-10/h7-9H,4-6H2,1-3H3
InChIKeyNHHTXWSRKKVEPU-UHFFFAOYSA-N
XLogP2.95
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate?
The IUPAC name of ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate (CID 79471715) is ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate?
The canonical SMILES for ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate is CCOC(=O)C(CC)(CC)c1nc(-c2ccco2)no1.
What is the InChIKey of ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate?
The InChIKey is NHHTXWSRKKVEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-14(5-2,13(17)18-6-3)12-15-11(16-20-12)10-8-7-9-19-10/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate?
ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate has a molecular weight of 278.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate is sourced from PubChem (CID 79471715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).