N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide

C16H9BrN4O2 — CID 43976145

IUPACN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1
InChIInChI=1S/C16H9BrN4O2/c17-13-3-1-2-12(8-13)15-20-21-16(23-15)19-14(22)11-6-4-10(9-18)5-7-11/h1-8H,(H,19,21,22)
InChIKeyUJJQSQCBRSWVBT-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.62
Rot. Bonds3

About N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide (PubChem CID 43976145) has the molecular formula C16H9BrN4O2 and a molecular weight of 369.18 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
PubChem CID43976145
Molecular FormulaC16H9BrN4O2
Molecular Weight369.18 g/mol
Exact Mass367.99
IUPAC NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1
InChIInChI=1S/C16H9BrN4O2/c17-13-3-1-2-12(8-13)15-20-21-16(23-15)19-14(22)11-6-4-10(9-18)5-7-11/h1-8H,(H,19,21,22)
InChIKeyUJJQSQCBRSWVBT-UHFFFAOYSA-N
XLogP3.62
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
4-cyano-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655668
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43976196
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43976193
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43976308
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 177345157

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide?
The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide (CID 43976145) is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1.
What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide?
The InChIKey is UJJQSQCBRSWVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN4O2/c17-13-3-1-2-12(8-13)15-20-21-16(23-15)19-14(22)11-6-4-10(9-18)5-7-11/h1-8H,(H,19,21,22).
What are the key properties of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide?
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide has a molecular weight of 369.18 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide is sourced from PubChem (CID 43976145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).