2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride

C5H10ClN3O — CID 86674755

IUPAC2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1ncon1.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-5(2,6)4-7-3-9-8-4;/h3H,6H2,1-2H3;1H
InChIKeyMIWZDJYUMABWIV-UHFFFAOYSA-N
MW163.61 g/mol
LogP0.69
Rot. Bonds1

About 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride

2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride (PubChem CID 86674755) has the molecular formula C5H10ClN3O and a molecular weight of 163.61 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
PubChem CID86674755
Molecular FormulaC5H10ClN3O
Molecular Weight163.61 g/mol
Exact Mass163.05
IUPAC Name2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1ncon1.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-5(2,6)4-7-3-9-8-4;/h3H,6H2,1-2H3;1H
InChIKeyMIWZDJYUMABWIV-UHFFFAOYSA-N
XLogP0.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;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-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride (CID 86674755) is 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride is CC(C)(N)c1ncon1.Cl.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride?
The InChIKey is MIWZDJYUMABWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.ClH/c1-5(2,6)4-7-3-9-8-4;/h3H,6H2,1-2H3;1H.
What are the key properties of 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride?
2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride has a molecular weight of 163.61 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 86674755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).