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

C11H19N3O2 — CID 106814662

IUPAC5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(C(C)C2CNC2)n1
InChIInChI=1S/C11H19N3O2/c1-3-15-5-4-10-13-11(16-14-10)8(2)9-6-12-7-9/h8-9,12H,3-7H2,1-2H3
InChIKeyHDIBFNKYOZMXGO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.97
Rot. Bonds6

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

5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole (PubChem CID 106814662) 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-(2-ethoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole
PubChem CID106814662
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(C(C)C2CNC2)n1
InChIInChI=1S/C11H19N3O2/c1-3-15-5-4-10-13-11(16-14-10)8(2)9-6-12-7-9/h8-9,12H,3-7H2,1-2H3
InChIKeyHDIBFNKYOZMXGO-UHFFFAOYSA-N
XLogP0.97
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.97
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 5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole (CID 106814662) is 5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole is CCOCCc1noc(C(C)C2CNC2)n1.
What is the InChIKey of 5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
The InChIKey is HDIBFNKYOZMXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-15-5-4-10-13-11(16-14-10)8(2)9-6-12-7-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole?
5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 0.97, 6 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-(2-ethoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 106814662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).