5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine

C8H5BrClN3O — CID 107992789

IUPAC5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C8H5BrClN3O/c9-6-3-4(10)1-2-5(6)7-12-8(11)13-14-7/h1-3H,(H2,11,13)
InChIKeyPOXRUACOWXQDKJ-UHFFFAOYSA-N
MW274.51 g/mol
LogP2.73
Rot. Bonds1

About 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine

5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine (PubChem CID 107992789) has the molecular formula C8H5BrClN3O and a molecular weight of 274.51 g/mol. Its IUPAC name is 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
PubChem CID107992789
Molecular FormulaC8H5BrClN3O
Molecular Weight274.51 g/mol
Exact Mass272.93
IUPAC Name5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C8H5BrClN3O/c9-6-3-4(10)1-2-5(6)7-12-8(11)13-14-7/h1-3H,(H2,11,13)
InChIKeyPOXRUACOWXQDKJ-UHFFFAOYSA-N
XLogP2.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103763599
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107992694
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 107989163
3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 112572126
5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 107987260
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 107992737
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138
5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 65416842
5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
CID 65418129
3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107988970
2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
CID 107991092

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine (CID 107992789) is 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine is Nc1noc(-c2ccc(Cl)cc2Br)n1.
What is the InChIKey of 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is POXRUACOWXQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3O/c9-6-3-4(10)1-2-5(6)7-12-8(11)13-14-7/h1-3H,(H2,11,13).
What are the key properties of 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine?
5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 274.51 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 107992789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).