(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride

C9H10ClN3O — CID 51051897

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H9N3O.ClH/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7;/h1-5H,6,10H2;1H
InChIKeyUXYCPKAVPVNXAB-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.62
Rot. Bonds2

About (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride

(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (PubChem CID 51051897) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
PubChem CID51051897
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H9N3O.ClH/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7;/h1-5H,6,10H2;1H
InChIKeyUXYCPKAVPVNXAB-UHFFFAOYSA-N
XLogP1.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;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-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (CID 51051897) is (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is Cl.NCc1nc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The InChIKey is UXYCPKAVPVNXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.ClH/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7;/h1-5H,6,10H2;1H.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 51051897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).