3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole

C13H23N3O3 — CID 116701753

IUPAC3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(CCOC2CCNCC2)n1
InChIInChI=1S/C13H23N3O3/c1-3-11(17-2)13-15-12(19-16-13)6-9-18-10-4-7-14-8-5-10/h10-11,14H,3-9H2,1-2H3
InChIKeyDDAYDWHYSASDCK-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.48
Rot. Bonds7

About 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole

3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole (PubChem CID 116701753) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
PubChem CID116701753
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(CCOC2CCNCC2)n1
InChIInChI=1S/C13H23N3O3/c1-3-11(17-2)13-15-12(19-16-13)6-9-18-10-4-7-14-8-5-10/h10-11,14H,3-9H2,1-2H3
InChIKeyDDAYDWHYSASDCK-UHFFFAOYSA-N
XLogP1.48
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole (CID 116701753) is 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole is CCC(OC)c1noc(CCOC2CCNCC2)n1.
What is the InChIKey of 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
The InChIKey is DDAYDWHYSASDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-11(17-2)13-15-12(19-16-13)6-9-18-10-4-7-14-8-5-10/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole?
3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole has a molecular weight of 269.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116701753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).