2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride

C11H14ClN3O — CID 46737068

IUPAC2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H13N3O.ClH/c12-7-6-11-13-10(14-15-11)8-9-4-2-1-3-5-9;/h1-5H,6-8,12H2;1H
InChIKeyUVYVJDKFSASXID-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.58
Rot. Bonds4

About 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride

2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 46737068) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
PubChem CID46737068
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H13N3O.ClH/c12-7-6-11-13-10(14-15-11)8-9-4-2-1-3-5-9;/h1-5H,6-8,12H2;1H
InChIKeyUVYVJDKFSASXID-UHFFFAOYSA-N
XLogP1.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (CID 46737068) is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is Cl.NCCc1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is UVYVJDKFSASXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c12-7-6-11-13-10(14-15-11)8-9-4-2-1-3-5-9;/h1-5H,6-8,12H2;1H.
What are the key properties of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 46737068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).