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

C6H9N3O — CID 55299581

IUPAC2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CNC2)o1
InChIInChI=1S/C6H9N3O/c1-4-8-9-6(10-4)5-2-7-3-5/h5,7H,2-3H2,1H3
InChIKeyXCPYWCWQUMKKIB-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.06
Rot. Bonds1

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

2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 55299581) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID55299581
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CNC2)o1
InChIInChI=1S/C6H9N3O/c1-4-8-9-6(10-4)5-2-7-3-5/h5,7H,2-3H2,1H3
InChIKeyXCPYWCWQUMKKIB-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole (CID 55299581) is 2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is XCPYWCWQUMKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-8-9-6(10-4)5-2-7-3-5/h5,7H,2-3H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 139.16 g/mol, XLogP of 0.06, 1 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-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 55299581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).