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

C7H11N3O — CID 84649788

IUPAC2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CNC2)o1
InChIInChI=1S/C7H11N3O/c1-2-6-9-10-7(11-6)5-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyYLHVKXILZBVHHE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.32
Rot. Bonds2

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

2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole (PubChem CID 84649788) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole
PubChem CID84649788
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CNC2)o1
InChIInChI=1S/C7H11N3O/c1-2-6-9-10-7(11-6)5-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyYLHVKXILZBVHHE-UHFFFAOYSA-N
XLogP0.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole (CID 84649788) is 2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole is CCc1nnc(C2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole?
The InChIKey is YLHVKXILZBVHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-6-9-10-7(11-6)5-3-8-4-5/h5,8H,2-4H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole has a molecular weight of 153.18 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 84649788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).