ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate

C13H15N3O4 — CID 71794025

IUPACethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate
SMILESCCOC(=O)CCn1cc(-c2nc(C)no2)ccc1=O
InChIInChI=1S/C13H15N3O4/c1-3-19-12(18)6-7-16-8-10(4-5-11(16)17)13-14-9(2)15-20-13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLEOMDHNGFPFNFN-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.16
Rot. Bonds5

About ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate

ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate (PubChem CID 71794025) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate
PubChem CID71794025
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Nameethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate
SMILESCCOC(=O)CCn1cc(-c2nc(C)no2)ccc1=O
InChIInChI=1S/C13H15N3O4/c1-3-19-12(18)6-7-16-8-10(4-5-11(16)17)13-14-9(2)15-20-13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLEOMDHNGFPFNFN-UHFFFAOYSA-N
XLogP1.16
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate (CID 71794025) is ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate is CCOC(=O)CCn1cc(-c2nc(C)no2)ccc1=O.
What is the InChIKey of ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate?
The InChIKey is LEOMDHNGFPFNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-3-19-12(18)6-7-16-8-10(4-5-11(16)17)13-14-9(2)15-20-13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate?
ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate has a molecular weight of 277.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]propanoate is sourced from PubChem (CID 71794025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).