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

C13H15BrClN3O — CID 119947825

IUPAC3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2nc(-c3cccc(Br)c3)no2)C1
InChIInChI=1S/C13H14BrN3O.ClH/c14-10-3-1-2-8(6-10)12-16-13(18-17-12)9-4-5-11(15)7-9;/h1-3,6,9,11H,4-5,7,15H2;1H
InChIKeyBRXCYVVVDJXOAL-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.52
Rot. Bonds2

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

3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 119947825) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
PubChem CID119947825
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC Name3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2nc(-c3cccc(Br)c3)no2)C1
InChIInChI=1S/C13H14BrN3O.ClH/c14-10-3-1-2-8(6-10)12-16-13(18-17-12)9-4-5-11(15)7-9;/h1-3,6,9,11H,4-5,7,15H2;1H
InChIKeyBRXCYVVVDJXOAL-UHFFFAOYSA-N
XLogP3.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride (CID 119947825) is 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1CCC(c2nc(-c3cccc(Br)c3)no2)C1.
What is the InChIKey of 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is BRXCYVVVDJXOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O.ClH/c14-10-3-1-2-8(6-10)12-16-13(18-17-12)9-4-5-11(15)7-9;/h1-3,6,9,11H,4-5,7,15H2;1H.
What are the key properties of 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 344.64 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 119947825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).