3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole

C8H4I2N2O — CID 112572229

IUPAC3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole
SMILESIc1noc(-c2ccccc2I)n1
InChIInChI=1S/C8H4I2N2O/c9-6-4-2-1-3-5(6)7-11-8(10)12-13-7/h1-4H
InChIKeyOKUFFGBBRKMIQW-UHFFFAOYSA-N
MW397.94 g/mol
LogP2.95
Rot. Bonds1

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

3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole (PubChem CID 112572229) has the molecular formula C8H4I2N2O and a molecular weight of 397.94 g/mol. Its IUPAC name is 3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole
PubChem CID112572229
Molecular FormulaC8H4I2N2O
Molecular Weight397.94 g/mol
Exact Mass397.84
IUPAC Name3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole
SMILESIc1noc(-c2ccccc2I)n1
InChIInChI=1S/C8H4I2N2O/c9-6-4-2-1-3-5(6)7-11-8(10)12-13-7/h1-4H
InChIKeyOKUFFGBBRKMIQW-UHFFFAOYSA-N
XLogP2.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.94
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112571847
5-(2-tert-butylphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572364
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62344085
5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945471
N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342352
3-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326504
3-iodo-5-quinolin-2-yl-1,2,4-oxadiazole
CID 112572320
3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
CID 136812652
3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008151

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole (CID 112572229) is 3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole is Ic1noc(-c2ccccc2I)n1.
What is the InChIKey of 3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole?
The InChIKey is OKUFFGBBRKMIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I2N2O/c9-6-4-2-1-3-5(6)7-11-8(10)12-13-7/h1-4H.
What are the key properties of 3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole?
3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole has a molecular weight of 397.94 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112572229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).