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

C10H12ClN3O — CID 46735940

IUPAC(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C10H11N3O.ClH/c11-7-10-12-9(13-14-10)6-8-4-2-1-3-5-8;/h1-5H,6-7,11H2;1H
InChIKeyKTFHPSGDFROIQL-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.54
Rot. Bonds3

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

(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (PubChem CID 46735940) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
PubChem CID46735940
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C10H11N3O.ClH/c11-7-10-12-9(13-14-10)6-8-4-2-1-3-5-8;/h1-5H,6-7,11H2;1H
InChIKeyKTFHPSGDFROIQL-UHFFFAOYSA-N
XLogP1.54
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (CID 46735940) is (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is Cl.NCc1nc(Cc2ccccc2)no1.
What is the InChIKey of (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The InChIKey is KTFHPSGDFROIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.ClH/c11-7-10-12-9(13-14-10)6-8-4-2-1-3-5-8;/h1-5H,6-7,11H2;1H.
What are the key properties of (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 46735940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).