2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole

C6H9N3O — CID 166546980

IUPAC2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole
SMILESCC1(c2nnco2)CNC1
InChIInChI=1S/C6H9N3O/c1-6(2-7-3-6)5-9-8-4-10-5/h4,7H,2-3H2,1H3
InChIKeyLVWOVGYYESBJEX-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.07
Rot. Bonds1

About 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole

2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole (PubChem CID 166546980) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole
PubChem CID166546980
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole
SMILESCC1(c2nnco2)CNC1
InChIInChI=1S/C6H9N3O/c1-6(2-7-3-6)5-9-8-4-10-5/h4,7H,2-3H2,1H3
InChIKeyLVWOVGYYESBJEX-UHFFFAOYSA-N
XLogP-0.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole (CID 166546980) is 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole is CC1(c2nnco2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole?
The InChIKey is LVWOVGYYESBJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-6(2-7-3-6)5-9-8-4-10-5/h4,7H,2-3H2,1H3.
What are the key properties of 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole?
2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole has a molecular weight of 139.16 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 166546980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).