5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole

C11H19N3O2 — CID 116701872

IUPAC5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(C(C)C2CNC2)n1
InChIInChI=1S/C11H19N3O2/c1-4-9(15-3)10-13-11(16-14-10)7(2)8-5-12-6-8/h7-9,12H,4-6H2,1-3H3
InChIKeyZRGLHVUVONSGIR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.49
Rot. Bonds5

About 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole

5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole (PubChem CID 116701872) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
PubChem CID116701872
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(C(C)C2CNC2)n1
InChIInChI=1S/C11H19N3O2/c1-4-9(15-3)10-13-11(16-14-10)7(2)8-5-12-6-8/h7-9,12H,4-6H2,1-3H3
InChIKeyZRGLHVUVONSGIR-UHFFFAOYSA-N
XLogP1.49
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole (CID 116701872) is 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole is CCC(OC)c1noc(C(C)C2CNC2)n1.
What is the InChIKey of 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole?
The InChIKey is ZRGLHVUVONSGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9(15-3)10-13-11(16-14-10)7(2)8-5-12-6-8/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole?
5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116701872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).