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

C10H11BrClN3O — CID 71756135

IUPAC1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1nc(-c2ccc(Br)cc2)no1.Cl
InChIInChI=1S/C10H10BrN3O.ClH/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7;/h2-6H,12H2,1H3;1H
InChIKeyCHYFWLRYSMIHQA-UHFFFAOYSA-N
MW304.58 g/mol
LogP2.94
Rot. Bonds2

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

1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (PubChem CID 71756135) has the molecular formula C10H11BrClN3O and a molecular weight of 304.58 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
PubChem CID71756135
Molecular FormulaC10H11BrClN3O
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Name1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1nc(-c2ccc(Br)cc2)no1.Cl
InChIInChI=1S/C10H10BrN3O.ClH/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7;/h2-6H,12H2,1H3;1H
InChIKeyCHYFWLRYSMIHQA-UHFFFAOYSA-N
XLogP2.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (CID 71756135) is 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is CC(N)c1nc(-c2ccc(Br)cc2)no1.Cl.
What is the InChIKey of 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The InChIKey is CHYFWLRYSMIHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O.ClH/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7;/h2-6H,12H2,1H3;1H.
What are the key properties of 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride has a molecular weight of 304.58 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 71756135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).