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

C10H9BrClN3O — CID 107992694

IUPAC1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C10H9BrClN3O/c1-5(13)9-14-10(16-15-9)7-3-2-6(12)4-8(7)11/h2-5H,13H2,1H3
InChIKeyMGDNAFJRQSXVCR-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.17
Rot. Bonds2

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

1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 107992694) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID107992694
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C10H9BrClN3O/c1-5(13)9-14-10(16-15-9)7-3-2-6(12)4-8(7)11/h2-5H,13H2,1H3
InChIKeyMGDNAFJRQSXVCR-UHFFFAOYSA-N
XLogP3.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 107989163
5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 107992789
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325188
3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
CID 107939307
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324177
4-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103763599
1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107965342
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326439
1-[5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635157
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 80538772
2-amino-2-[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435331

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 107992694) is 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(-c2ccc(Cl)cc2Br)n1.
What is the InChIKey of 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is MGDNAFJRQSXVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-5(13)9-14-10(16-15-9)7-3-2-6(12)4-8(7)11/h2-5H,13H2,1H3.
What are the key properties of 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 302.56 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 107992694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).