4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline

C14H9BrClN3O — CID 103763599

IUPAC4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1ccc(-c2noc(-c3ccc(Cl)cc3Br)n2)cc1
InChIInChI=1S/C14H9BrClN3O/c15-12-7-9(16)3-6-11(12)14-18-13(19-20-14)8-1-4-10(17)5-2-8/h1-7H,17H2
InChIKeyDSTRNSZQAGMGFD-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.40
Rot. Bonds2

About 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline

4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 103763599) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID103763599
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESNc1ccc(-c2noc(-c3ccc(Cl)cc3Br)n2)cc1
InChIInChI=1S/C14H9BrClN3O/c15-12-7-9(16)3-6-11(12)14-18-13(19-20-14)8-1-4-10(17)5-2-8/h1-7H,17H2
InChIKeyDSTRNSZQAGMGFD-UHFFFAOYSA-N
XLogP4.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 107992789
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525094
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-chloroaniline
CID 82788705
4-bromo-3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296567
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-chloroaniline
CID 60862549
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 106855007
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107992694
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62510834
4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 100559235
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline (CID 103763599) is 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline is Nc1ccc(-c2noc(-c3ccc(Cl)cc3Br)n2)cc1.
What is the InChIKey of 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is DSTRNSZQAGMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-12-7-9(16)3-6-11(12)14-18-13(19-20-14)8-1-4-10(17)5-2-8/h1-7H,17H2.
What are the key properties of 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline?
4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 350.60 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 103763599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).