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

C9H9BrClN3O — CID 86812445

IUPAC[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C9H8BrN3O.ClH/c10-7-3-1-2-6(4-7)9-12-8(5-11)14-13-9;/h1-4H,5,11H2;1H
InChIKeyFDBFQFPJPNLCIL-UHFFFAOYSA-N
MW290.55 g/mol
LogP2.38
Rot. Bonds2

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

[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 86812445) has the molecular formula C9H9BrClN3O and a molecular weight of 290.55 g/mol. Its IUPAC name is [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID86812445
Molecular FormulaC9H9BrClN3O
Molecular Weight290.55 g/mol
Exact Mass288.96
IUPAC Name[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C9H8BrN3O.ClH/c10-7-3-1-2-6(4-7)9-12-8(5-11)14-13-9;/h1-4H,5,11H2;1H
InChIKeyFDBFQFPJPNLCIL-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 [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 86812445) is [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is FDBFQFPJPNLCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O.ClH/c10-7-3-1-2-6(4-7)9-12-8(5-11)14-13-9;/h1-4H,5,11H2;1H.
What are the key properties of [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-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 [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 86812445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).