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

C10H10BrN3O — CID 61326439

IUPAC1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H10BrN3O/c1-6(12)9-13-10(15-14-9)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyTXVROBXZWMLNHH-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.52
Rot. Bonds2

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

1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61326439) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61326439
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H10BrN3O/c1-6(12)9-13-10(15-14-9)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyTXVROBXZWMLNHH-UHFFFAOYSA-N
XLogP2.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325188
1-[5-(4-butoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326232
1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 10375609
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61323972
[(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
CID 44605909
1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754014
1-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325232
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107992694
1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326230
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323780
1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325190
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 80538772

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61326439) is 1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is TXVROBXZWMLNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-6(12)9-13-10(15-14-9)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3.
What are the key properties of 1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 268.11 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61326439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).