[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride

C9H9BrClN3O — CID 86812443

IUPAC[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1noc(-c2cccc(Br)c2)n1
InChIInChI=1S/C9H8BrN3O.ClH/c10-7-3-1-2-6(4-7)9-12-8(5-11)13-14-9;/h1-4H,5,11H2;1H
InChIKeyBFBYRUWWUGEUQB-UHFFFAOYSA-N
MW290.55 g/mol
LogP2.38
Rot. Bonds2

About [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride

[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride (PubChem CID 86812443) has the molecular formula C9H9BrClN3O and a molecular weight of 290.55 g/mol. Its IUPAC name is [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
PubChem CID86812443
Molecular FormulaC9H9BrClN3O
Molecular Weight290.55 g/mol
Exact Mass288.96
IUPAC Name[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1noc(-c2cccc(Br)c2)n1
InChIInChI=1S/C9H8BrN3O.ClH/c10-7-3-1-2-6(4-7)9-12-8(5-11)13-14-9;/h1-4H,5,11H2;1H
InChIKeyBFBYRUWWUGEUQB-UHFFFAOYSA-N
XLogP2.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride (CID 86812443) is [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride is Cl.NCc1noc(-c2cccc(Br)c2)n1.
What is the InChIKey of [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The InChIKey is BFBYRUWWUGEUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O.ClH/c10-7-3-1-2-6(4-7)9-12-8(5-11)13-14-9;/h1-4H,5,11H2;1H.
What are the key properties of [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride has a molecular weight of 290.55 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 86812443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).