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

C11H14ClN3O — CID 71755507

IUPAC1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(Cc2ccccc2)no1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9;/h2-6,8H,7,12H2,1H3;1H
InChIKeyBSCMGZSMMYUDIC-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.10
Rot. Bonds3

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

1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 71755507) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
PubChem CID71755507
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(Cc2ccccc2)no1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9;/h2-6,8H,7,12H2,1H3;1H
InChIKeyBSCMGZSMMYUDIC-UHFFFAOYSA-N
XLogP2.10
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (CID 71755507) is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is CC(N)c1nc(Cc2ccccc2)no1.Cl.
What is the InChIKey of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is BSCMGZSMMYUDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9;/h2-6,8H,7,12H2,1H3;1H.
What are the key properties of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71755507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).