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

C10H17N3O2 — CID 63025786

IUPAC5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCOCc1nc(C2CCCNC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-14-7-9-12-10(13-15-9)8-4-3-5-11-6-8/h8,11H,2-7H2,1H3
InChIKeyHZQMIYZACOVUGH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.07
Rot. Bonds4

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

5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 63025786) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID63025786
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCOCc1nc(C2CCCNC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-14-7-9-12-10(13-15-9)8-4-3-5-11-6-8/h8,11H,2-7H2,1H3
InChIKeyHZQMIYZACOVUGH-UHFFFAOYSA-N
XLogP1.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 63025786) is 5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole is CCOCc1nc(C2CCCNC2)no1.
What is the InChIKey of 5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is HZQMIYZACOVUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-14-7-9-12-10(13-15-9)8-4-3-5-11-6-8/h8,11H,2-7H2,1H3.
What are the key properties of 5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 211.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63025786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).