3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole

C10H17N3O2 — CID 62341405

IUPAC3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole
SMILESc1nc(COCCC2CCCCN2)no1
InChIInChI=1S/C10H17N3O2/c1-2-5-11-9(3-1)4-6-14-7-10-12-8-15-13-10/h8-9,11H,1-7H2
InChIKeyCKJAFSMASVLZIG-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds5

About 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole

3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole (PubChem CID 62341405) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole
PubChem CID62341405
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole
SMILESc1nc(COCCC2CCCCN2)no1
InChIInChI=1S/C10H17N3O2/c1-2-5-11-9(3-1)4-6-14-7-10-12-8-15-13-10/h8-9,11H,1-7H2
InChIKeyCKJAFSMASVLZIG-UHFFFAOYSA-N
XLogP1.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole (CID 62341405) is 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole is c1nc(COCCC2CCCCN2)no1.
What is the InChIKey of 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is CKJAFSMASVLZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-11-9(3-1)4-6-14-7-10-12-8-15-13-10/h8-9,11H,1-7H2.
What are the key properties of 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole?
3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 211.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62341405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).