3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole

C13H23N3O2 — CID 116704540

IUPAC3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(C)c1noc(C2(C)CCCCN2)n1
InChIInChI=1S/C13H23N3O2/c1-5-17-12(2,3)10-15-11(18-16-10)13(4)8-6-7-9-14-13/h14H,5-9H2,1-4H3
InChIKeyQNPALOAVDMKUEO-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.33
Rot. Bonds4

About 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 116704540) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID116704540
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(C)c1noc(C2(C)CCCCN2)n1
InChIInChI=1S/C13H23N3O2/c1-5-17-12(2,3)10-15-11(18-16-10)13(4)8-6-7-9-14-13/h14H,5-9H2,1-4H3
InChIKeyQNPALOAVDMKUEO-UHFFFAOYSA-N
XLogP2.33
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 116704540) is 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is CCOC(C)(C)c1noc(C2(C)CCCCN2)n1.
What is the InChIKey of 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is QNPALOAVDMKUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-17-12(2,3)10-15-11(18-16-10)13(4)8-6-7-9-14-13/h14H,5-9H2,1-4H3.
What are the key properties of 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 253.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116704540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).