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

C14H9IN2O — CID 749918

IUPAC2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
SMILESIc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C14H9IN2O/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9H
InChIKeyFBBKOHNAHPCMBF-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.01
Rot. Bonds2

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

2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 749918) has the molecular formula C14H9IN2O and a molecular weight of 348.14 g/mol. Its IUPAC name is 2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID749918
Molecular FormulaC14H9IN2O
Molecular Weight348.14 g/mol
Exact Mass347.98
IUPAC Name2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
SMILESIc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C14H9IN2O/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9H
InChIKeyFBBKOHNAHPCMBF-UHFFFAOYSA-N
XLogP4.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole (CID 749918) is 2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole is Ic1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FBBKOHNAHPCMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole?
2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 348.14 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 749918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).