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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Related Compounds

2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 171390427
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
CID 59236801
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 67510995
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
1-(3-iodophenyl)-4-(3-phenylphenyl)benzene
CID 12670522
2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole
CID 102278029
2-(3-iodophenyl)-5-methyl-1,3-oxazole
CID 67350132

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).