4,5-bis(3-iodophenyl)oxadiazole

C14H8I2N2O — CID 91352906

IUPAC4,5-bis(3-iodophenyl)oxadiazole
SMILESIc1cccc(-c2nnoc2-c2cccc(I)c2)c1
InChIInChI=1S/C14H8I2N2O/c15-11-5-1-3-9(7-11)13-14(19-18-17-13)10-4-2-6-12(16)8-10/h1-8H
InChIKeyNENNMRLQCHWNEK-UHFFFAOYSA-N
MW474.04 g/mol
LogP4.61
Rot. Bonds2

About 4,5-bis(3-iodophenyl)oxadiazole

4,5-bis(3-iodophenyl)oxadiazole (PubChem CID 91352906) has the molecular formula C14H8I2N2O and a molecular weight of 474.04 g/mol. Its IUPAC name is 4,5-bis(3-iodophenyl)oxadiazole.

Molecular Properties

Compound Name4,5-bis(3-iodophenyl)oxadiazole
PubChem CID91352906
Molecular FormulaC14H8I2N2O
Molecular Weight474.04 g/mol
Exact Mass473.87
IUPAC Name4,5-bis(3-iodophenyl)oxadiazole
SMILESIc1cccc(-c2nnoc2-c2cccc(I)c2)c1
InChIInChI=1S/C14H8I2N2O/c15-11-5-1-3-9(7-11)13-14(19-18-17-13)10-4-2-6-12(16)8-10/h1-8H
InChIKeyNENNMRLQCHWNEK-UHFFFAOYSA-N
XLogP4.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.04
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-bis(3-iodophenyl)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 4,5-bis(3-iodophenyl)oxadiazole?
The IUPAC name of 4,5-bis(3-iodophenyl)oxadiazole (CID 91352906) is 4,5-bis(3-iodophenyl)oxadiazole.
What is the SMILES notation for 4,5-bis(3-iodophenyl)oxadiazole?
The canonical SMILES for 4,5-bis(3-iodophenyl)oxadiazole is Ic1cccc(-c2nnoc2-c2cccc(I)c2)c1.
What is the InChIKey of 4,5-bis(3-iodophenyl)oxadiazole?
The InChIKey is NENNMRLQCHWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8I2N2O/c15-11-5-1-3-9(7-11)13-14(19-18-17-13)10-4-2-6-12(16)8-10/h1-8H.
What are the key properties of 4,5-bis(3-iodophenyl)oxadiazole?
4,5-bis(3-iodophenyl)oxadiazole has a molecular weight of 474.04 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(3-iodophenyl)oxadiazole is sourced from PubChem (CID 91352906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).