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

C12H12FN3O3 — CID 79719784

IUPACethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESCCOC(=O)C(C)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H12FN3O3/c1-3-18-12(17)7(2)11-15-10(16-19-11)9-5-4-8(13)6-14-9/h4-7H,3H2,1-2H3
InChIKeyQAVFUHROKVKIFI-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.94
Rot. Bonds4

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

ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate (PubChem CID 79719784) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate
PubChem CID79719784
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Nameethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESCCOC(=O)C(C)c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H12FN3O3/c1-3-18-12(17)7(2)11-15-10(16-19-11)9-5-4-8(13)6-14-9/h4-7H,3H2,1-2H3
InChIKeyQAVFUHROKVKIFI-UHFFFAOYSA-N
XLogP1.94
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate?
The IUPAC name of ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate (CID 79719784) is ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate.
What is the SMILES notation for ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate?
The canonical SMILES for ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate is CCOC(=O)C(C)c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate?
The InChIKey is QAVFUHROKVKIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-3-18-12(17)7(2)11-15-10(16-19-11)9-5-4-8(13)6-14-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate?
ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate has a molecular weight of 265.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate is sourced from PubChem (CID 79719784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).