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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Related Compounds

5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-amine
CID 65418361
3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 104880792
N,N-dimethyl-2-[5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115345496
1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116701649
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116701700
N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116701643
4-methyl-2-[5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79071496
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 63869406
5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
CID 116701630
N-cyclopropyl-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790886
5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
CID 116701872
3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116701833

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).