2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

C16H12BrN3O2 — CID 50747821

IUPAC2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCc1noc(-c2ccc(NC(=O)c3ccccc3Br)cc2)n1
InChIInChI=1S/C16H12BrN3O2/c1-10-18-16(22-20-10)11-6-8-12(9-7-11)19-15(21)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,19,21)
InChIKeyUXSBMAQHIDSRAY-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.06
Rot. Bonds3

About 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 50747821) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID50747821
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC Name2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCc1noc(-c2ccc(NC(=O)c3ccccc3Br)cc2)n1
InChIInChI=1S/C16H12BrN3O2/c1-10-18-16(22-20-10)11-6-8-12(9-7-11)19-15(21)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,19,21)
InChIKeyUXSBMAQHIDSRAY-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide 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

2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110643559
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975
1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone
CID 70010395
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
CID 50747838
2-bromo-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3903910
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55530367
2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 11097996
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 31861070
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 50747821) is 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is Cc1noc(-c2ccc(NC(=O)c3ccccc3Br)cc2)n1.
What is the InChIKey of 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is UXSBMAQHIDSRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-10-18-16(22-20-10)11-6-8-12(9-7-11)19-15(21)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,19,21).
What are the key properties of 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 358.20 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 50747821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).