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

C12H15ClN2O — CID 155943661

IUPAC[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
SMILESCc1noc(C)c1-c1ccc(CN)cc1.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-8-12(9(2)15-14-8)11-5-3-10(7-13)4-6-11;/h3-6H,7,13H2,1-2H3;1H
InChIKeyRHEQGZBEZJIAJU-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.84
Rot. Bonds2

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

[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride (PubChem CID 155943661) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is [4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
PubChem CID155943661
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
SMILESCc1noc(C)c1-c1ccc(CN)cc1.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-8-12(9(2)15-14-8)11-5-3-10(7-13)4-6-11;/h3-6H,7,13H2,1-2H3;1H
InChIKeyRHEQGZBEZJIAJU-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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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride (CID 155943661) is [4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride is Cc1noc(C)c1-c1ccc(CN)cc1.Cl.
What is the InChIKey of [4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride?
The InChIKey is RHEQGZBEZJIAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c1-8-12(9(2)15-14-8)11-5-3-10(7-13)4-6-11;/h3-6H,7,13H2,1-2H3;1H.
What are the key properties of [4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride?
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]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 [4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 155943661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).