5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole

C14H19N3O2 — CID 104788843

IUPAC5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccoc3C)no2)CCCNC1
InChIInChI=1S/C14H19N3O2/c1-3-14(6-4-7-15-9-14)13-16-12(17-19-13)11-5-8-18-10(11)2/h5,8,15H,3-4,6-7,9H2,1-2H3
InChIKeyHDEYSOKQFJBHRQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.67
Rot. Bonds3

About 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole

5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole (PubChem CID 104788843) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
PubChem CID104788843
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccoc3C)no2)CCCNC1
InChIInChI=1S/C14H19N3O2/c1-3-14(6-4-7-15-9-14)13-16-12(17-19-13)11-5-8-18-10(11)2/h5,8,15H,3-4,6-7,9H2,1-2H3
InChIKeyHDEYSOKQFJBHRQ-UHFFFAOYSA-N
XLogP2.67
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 113453228
5-(3-ethylpiperidin-3-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79719832
3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137750
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 104788996
3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 115565652
5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529186
5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 63145223
5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 63138318
4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 104788863
5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806582
3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63718510
5-(3-ethylpyrrolidin-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55165560

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole (CID 104788843) is 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole is CCC1(c2nc(-c3ccoc3C)no2)CCCNC1.
What is the InChIKey of 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
The InChIKey is HDEYSOKQFJBHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-14(6-4-7-15-9-14)13-16-12(17-19-13)11-5-8-18-10(11)2/h5,8,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole has a molecular weight of 261.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104788843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).