5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole

C13H17N3O2 — CID 79084471

IUPAC5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc(C3CCCNC3)no2)o1
InChIInChI=1S/C13H17N3O2/c1-2-10-5-6-11(17-10)13-15-12(16-18-13)9-4-3-7-14-8-9/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyNPJPOBJXGVIFCM-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.36
Rot. Bonds3

About 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole

5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 79084471) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID79084471
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc(C3CCCNC3)no2)o1
InChIInChI=1S/C13H17N3O2/c1-2-10-5-6-11(17-10)13-15-12(16-18-13)9-4-3-7-14-8-9/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyNPJPOBJXGVIFCM-UHFFFAOYSA-N
XLogP2.36
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 79084471) is 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is CCc1ccc(-c2nc(C3CCCNC3)no2)o1.
What is the InChIKey of 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is NPJPOBJXGVIFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-10-5-6-11(17-10)13-15-12(16-18-13)9-4-3-7-14-8-9/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylfuran-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 79084471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).