[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride

C11H13ClN2O — CID 42895471

IUPAC[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
SMILESCc1ccc(-c2cc(CN)on2)cc1.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11;/h2-6H,7,12H2,1H3;1H
InChIKeyNGABAJIZQLGGGZ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.53
Rot. Bonds2

About [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride

[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride (PubChem CID 42895471) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
PubChem CID42895471
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
SMILESCc1ccc(-c2cc(CN)on2)cc1.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11;/h2-6H,7,12H2,1H3;1H
InChIKeyNGABAJIZQLGGGZ-UHFFFAOYSA-N
XLogP2.53
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-methylphenyl)-1,2-oxazol-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-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride (CID 42895471) is [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride is Cc1ccc(-c2cc(CN)on2)cc1.Cl.
What is the InChIKey of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride?
The InChIKey is NGABAJIZQLGGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11;/h2-6H,7,12H2,1H3;1H.
What are the key properties of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride?
[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 42895471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).