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

C14H8I2N2O — CID 21231936

IUPAC3,5-bis(4-iodophenyl)-1,2,4-oxadiazole
SMILESIc1ccc(-c2noc(-c3ccc(I)cc3)n2)cc1
InChIInChI=1S/C14H8I2N2O/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyPHSSEZYYKHXATN-UHFFFAOYSA-N
MW474.04 g/mol
LogP4.61
Rot. Bonds2

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

3,5-bis(4-iodophenyl)-1,2,4-oxadiazole (PubChem CID 21231936) has the molecular formula C14H8I2N2O and a molecular weight of 474.04 g/mol. Its IUPAC name is 3,5-bis(4-iodophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-bis(4-iodophenyl)-1,2,4-oxadiazole
PubChem CID21231936
Molecular FormulaC14H8I2N2O
Molecular Weight474.04 g/mol
Exact Mass473.87
IUPAC Name3,5-bis(4-iodophenyl)-1,2,4-oxadiazole
SMILESIc1ccc(-c2noc(-c3ccc(I)cc3)n2)cc1
InChIInChI=1S/C14H8I2N2O/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyPHSSEZYYKHXATN-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'}

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Related Compounds

4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-iodophenyl)-1,2,4-oxadiazole
CID 171851796
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323759
3-(chloromethyl)-5-(4-iodophenyl)-1,2,4-oxadiazole
CID 28978814
3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61326285
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole
CID 596524
1-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325232
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-iodophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3,5-bis(4-iodophenyl)-1,2,4-oxadiazole (CID 21231936) is 3,5-bis(4-iodophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-bis(4-iodophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3,5-bis(4-iodophenyl)-1,2,4-oxadiazole is Ic1ccc(-c2noc(-c3ccc(I)cc3)n2)cc1.
What is the InChIKey of 3,5-bis(4-iodophenyl)-1,2,4-oxadiazole?
The InChIKey is PHSSEZYYKHXATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8I2N2O/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of 3,5-bis(4-iodophenyl)-1,2,4-oxadiazole?
3,5-bis(4-iodophenyl)-1,2,4-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 3,5-bis(4-iodophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 21231936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).