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

C5H6IN3O — CID 118983470

IUPAC2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole
SMILESIc1nnc(C2CNC2)o1
InChIInChI=1S/C5H6IN3O/c6-5-9-8-4(10-5)3-1-7-2-3/h3,7H,1-2H2
InChIKeyOWKSAPSDIKFYNT-UHFFFAOYSA-N
MW251.03 g/mol
LogP0.36
Rot. Bonds1

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

2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole (PubChem CID 118983470) has the molecular formula C5H6IN3O and a molecular weight of 251.03 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole
PubChem CID118983470
Molecular FormulaC5H6IN3O
Molecular Weight251.03 g/mol
Exact Mass250.96
IUPAC Name2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole
SMILESIc1nnc(C2CNC2)o1
InChIInChI=1S/C5H6IN3O/c6-5-9-8-4(10-5)3-1-7-2-3/h3,7H,1-2H2
InChIKeyOWKSAPSDIKFYNT-UHFFFAOYSA-N
XLogP0.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole (CID 118983470) is 2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole is Ic1nnc(C2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is OWKSAPSDIKFYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O/c6-5-9-8-4(10-5)3-1-7-2-3/h3,7H,1-2H2.
What are the key properties of 2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 251.03 g/mol, XLogP of 0.36, 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-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 118983470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).