ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate

C14H25N3O3 — CID 116808490

IUPACethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(N(CC)CC)no1
InChIInChI=1S/C14H25N3O3/c1-6-14(7-2,12(18)19-10-5)11-15-13(16-20-11)17(8-3)9-4/h6-10H2,1-5H3
InChIKeyVLSSTJLFTBIJGG-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.54
Rot. Bonds8

About ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate

ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate (PubChem CID 116808490) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate
PubChem CID116808490
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(N(CC)CC)no1
InChIInChI=1S/C14H25N3O3/c1-6-14(7-2,12(18)19-10-5)11-15-13(16-20-11)17(8-3)9-4/h6-10H2,1-5H3
InChIKeyVLSSTJLFTBIJGG-UHFFFAOYSA-N
XLogP2.54
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate?
The IUPAC name of ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate (CID 116808490) is ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate.
What is the SMILES notation for ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate?
The canonical SMILES for ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate is CCOC(=O)C(CC)(CC)c1nc(N(CC)CC)no1.
What is the InChIKey of ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate?
The InChIKey is VLSSTJLFTBIJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-6-14(7-2,12(18)19-10-5)11-15-13(16-20-11)17(8-3)9-4/h6-10H2,1-5H3.
What are the key properties of ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate?
ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate has a molecular weight of 283.37 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate is sourced from PubChem (CID 116808490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).