3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride

C12H15Cl2N3O — CID 71829624

IUPAC3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
SMILESCl.NCCCc1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H14ClN3O.ClH/c13-10-5-3-9(4-6-10)8-11-15-12(17-16-11)2-1-7-14;/h3-6H,1-2,7-8,14H2;1H
InChIKeyXHKFLCSJYWVAFE-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.63
Rot. Bonds5

About 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride

3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride (PubChem CID 71829624) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
PubChem CID71829624
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
SMILESCl.NCCCc1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H14ClN3O.ClH/c13-10-5-3-9(4-6-10)8-11-15-12(17-16-11)2-1-7-14;/h3-6H,1-2,7-8,14H2;1H
InChIKeyXHKFLCSJYWVAFE-UHFFFAOYSA-N
XLogP2.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-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 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride?
The IUPAC name of 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride (CID 71829624) is 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride is Cl.NCCCc1nc(Cc2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride?
The InChIKey is XHKFLCSJYWVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O.ClH/c13-10-5-3-9(4-6-10)8-11-15-12(17-16-11)2-1-7-14;/h3-6H,1-2,7-8,14H2;1H.
What are the key properties of 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride?
3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride has a molecular weight of 288.18 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride is sourced from PubChem (CID 71829624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).