2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole

C14H9BrN2O — CID 142719990

IUPAC2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole
SMILESBrc1cc(-c2ccccc2)cc(-c2nnco2)c1
InChIInChI=1S/C14H9BrN2O/c15-13-7-11(10-4-2-1-3-5-10)6-12(8-13)14-17-16-9-18-14/h1-9H
InChIKeyOUWUHRCDUXFHIT-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.17
Rot. Bonds2

About 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole

2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 142719990) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole
PubChem CID142719990
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole
SMILESBrc1cc(-c2ccccc2)cc(-c2nnco2)c1
InChIInChI=1S/C14H9BrN2O/c15-13-7-11(10-4-2-1-3-5-10)6-12(8-13)14-17-16-9-18-14/h1-9H
InChIKeyOUWUHRCDUXFHIT-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole (CID 142719990) is 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole is Brc1cc(-c2ccccc2)cc(-c2nnco2)c1.
What is the InChIKey of 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole?
The InChIKey is OUWUHRCDUXFHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-13-7-11(10-4-2-1-3-5-10)6-12(8-13)14-17-16-9-18-14/h1-9H.
What are the key properties of 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole?
2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole has a molecular weight of 301.14 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 142719990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).