5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole

C10H17N3O2 — CID 54593351

IUPAC5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESCCc1nc(COC2CCNCC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-10-12-9(13-15-10)7-14-8-3-5-11-6-4-8/h8,11H,2-7H2,1H3
InChIKeyATDDJQBFBPEELU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.90
Rot. Bonds4

About 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole

5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 54593351) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
PubChem CID54593351
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESCCc1nc(COC2CCNCC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-10-12-9(13-15-10)7-14-8-3-5-11-6-4-8/h8,11H,2-7H2,1H3
InChIKeyATDDJQBFBPEELU-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (CID 54593351) is 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is CCc1nc(COC2CCNCC2)no1.
What is the InChIKey of 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is ATDDJQBFBPEELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-10-12-9(13-15-10)7-14-8-3-5-11-6-4-8/h8,11H,2-7H2,1H3.
What are the key properties of 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 211.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 54593351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).