1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine

C12H13Br2N3O — CID 114183393

IUPAC1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ncon1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3O/c1-8(10-3-2-9(13)6-11(10)14)15-5-4-12-16-7-18-17-12/h2-3,6-8,15H,4-5H2,1H3
InChIKeyWLFYMOFYNFAMFA-UHFFFAOYSA-N
MW375.06 g/mol
LogP3.49
Rot. Bonds5

About 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine

1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine (PubChem CID 114183393) has the molecular formula C12H13Br2N3O and a molecular weight of 375.06 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
PubChem CID114183393
Molecular FormulaC12H13Br2N3O
Molecular Weight375.06 g/mol
Exact Mass372.94
IUPAC Name1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ncon1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3O/c1-8(10-3-2-9(13)6-11(10)14)15-5-4-12-16-7-18-17-12/h2-3,6-8,15H,4-5H2,1H3
InChIKeyWLFYMOFYNFAMFA-UHFFFAOYSA-N
XLogP3.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.06
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396340
1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395346
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396288
1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395858
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144
5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106396467
1-(2,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391621
1-(3-fluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395709
1-(4-methylsulfanylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395806
1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395540
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781439

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine (CID 114183393) is 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine is CC(NCCc1ncon1)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The InChIKey is WLFYMOFYNFAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O/c1-8(10-3-2-9(13)6-11(10)14)15-5-4-12-16-7-18-17-12/h2-3,6-8,15H,4-5H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine has a molecular weight of 375.06 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 114183393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).