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

C15H11IN2O2 — CID 44560736

IUPAC3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(I)cc3)no2)cc1
InChIInChI=1S/C15H11IN2O2/c1-19-13-8-4-11(5-9-13)15-17-14(18-20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKeyDZTZRXWOWYIREQ-UHFFFAOYSA-N
MW378.17 g/mol
LogP4.02
Rot. Bonds3

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

3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 44560736) has the molecular formula C15H11IN2O2 and a molecular weight of 378.17 g/mol. Its IUPAC name is 3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID44560736
Molecular FormulaC15H11IN2O2
Molecular Weight378.17 g/mol
Exact Mass377.99
IUPAC Name3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(I)cc3)no2)cc1
InChIInChI=1S/C15H11IN2O2/c1-19-13-8-4-11(5-9-13)15-17-14(18-20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKeyDZTZRXWOWYIREQ-UHFFFAOYSA-N
XLogP4.02
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 54.02
H-Bond Donors ≤ 50
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 3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 44560736) is 3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccc(I)cc3)no2)cc1.
What is the InChIKey of 3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is DZTZRXWOWYIREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O2/c1-19-13-8-4-11(5-9-13)15-17-14(18-20-15)10-2-6-12(16)7-3-10/h2-9H,1H3.
What are the key properties of 3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 378.17 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 44560736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).