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

C12H15ClN2O — CID 82019192

IUPAC[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
SMILESCc1ccc(-c2noc(C)c2CN)cc1.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-8-3-5-10(6-4-8)12-11(7-13)9(2)15-14-12;/h3-6H,7,13H2,1-2H3;1H
InChIKeyXDBQUFRETWLDHF-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.84
Rot. Bonds2

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

[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride (PubChem CID 82019192) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is [5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
PubChem CID82019192
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
SMILESCc1ccc(-c2noc(C)c2CN)cc1.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-8-3-5-10(6-4-8)12-11(7-13)9(2)15-14-12;/h3-6H,7,13H2,1-2H3;1H
InChIKeyXDBQUFRETWLDHF-UHFFFAOYSA-N
XLogP2.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127036
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82128528
[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 82128657
[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 22221056
4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 146272646
[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 42895471
ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
CID 170884921
[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine
CID 83850903

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride (CID 82019192) is [5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride is Cc1ccc(-c2noc(C)c2CN)cc1.Cl.
What is the InChIKey of [5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride?
The InChIKey is XDBQUFRETWLDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c1-8-3-5-10(6-4-8)12-11(7-13)9(2)15-14-12;/h3-6H,7,13H2,1-2H3;1H.
What are the key properties of [5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride?
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 82019192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).