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

C10H9Br2N3O — CID 114375340

IUPAC2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2cc(Br)ccc2Br)n1
InChIInChI=1S/C10H9Br2N3O/c11-6-1-2-8(12)7(5-6)10-14-9(3-4-13)15-16-10/h1-2,5H,3-4,13H2
InChIKeySUKKUJASMLVDIO-UHFFFAOYSA-N
MW347.01 g/mol
LogP2.76
Rot. Bonds3

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

2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 114375340) has the molecular formula C10H9Br2N3O and a molecular weight of 347.01 g/mol. Its IUPAC name is 2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID114375340
Molecular FormulaC10H9Br2N3O
Molecular Weight347.01 g/mol
Exact Mass344.91
IUPAC Name2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2cc(Br)ccc2Br)n1
InChIInChI=1S/C10H9Br2N3O/c11-6-1-2-8(12)7(5-6)10-14-9(3-4-13)15-16-10/h1-2,5H,3-4,13H2
InChIKeySUKKUJASMLVDIO-UHFFFAOYSA-N
XLogP2.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651
2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 164654503
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 81476100
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
1-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 114375359
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
4-bromo-2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65131124
1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 114018605
5-bromo-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63890406
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866083

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 114375340) is 2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(-c2cc(Br)ccc2Br)n1.
What is the InChIKey of 2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is SUKKUJASMLVDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O/c11-6-1-2-8(12)7(5-6)10-14-9(3-4-13)15-16-10/h1-2,5H,3-4,13H2.
What are the key properties of 2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 347.01 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 114375340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).