[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine

C9H7Br2N3O — CID 107940651

IUPAC[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2ccc(Br)cc2Br)n1
InChIInChI=1S/C9H7Br2N3O/c10-5-1-2-6(7(11)3-5)9-13-8(4-12)14-15-9/h1-3H,4,12H2
InChIKeyMTPOAUIHRHQIAH-UHFFFAOYSA-N
MW332.98 g/mol
LogP2.72
Rot. Bonds2

About [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 107940651) has the molecular formula C9H7Br2N3O and a molecular weight of 332.98 g/mol. Its IUPAC name is [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID107940651
Molecular FormulaC9H7Br2N3O
Molecular Weight332.98 g/mol
Exact Mass330.90
IUPAC Name[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2ccc(Br)cc2Br)n1
InChIInChI=1S/C9H7Br2N3O/c10-5-1-2-6(7(11)3-5)9-13-8(4-12)14-15-9/h1-3H,4,12H2
InChIKeyMTPOAUIHRHQIAH-UHFFFAOYSA-N
XLogP2.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.98
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine 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

1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 114018605
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340
5-bromo-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63890406
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660255
5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 43120179
3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
CID 107939307
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235
[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326218
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62645547
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-bromoaniline
CID 62073830
2-cyclobutyloxy-1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107940736

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 107940651) is [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2ccc(Br)cc2Br)n1.
What is the InChIKey of [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is MTPOAUIHRHQIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N3O/c10-5-1-2-6(7(11)3-5)9-13-8(4-12)14-15-9/h1-3H,4,12H2.
What are the key properties of [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 332.98 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 107940651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).