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

C12H15ClN2O3 — CID 46737049

IUPAC[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2cc(CN)no2)cc1OC.Cl
InChIInChI=1S/C12H14N2O3.ClH/c1-15-10-4-3-8(5-12(10)16-2)11-6-9(7-13)14-17-11;/h3-6H,7,13H2,1-2H3;1H
InChIKeyLFXYNBWPFOMINX-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.24
Rot. Bonds4

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

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride (PubChem CID 46737049) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
PubChem CID46737049
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2cc(CN)no2)cc1OC.Cl
InChIInChI=1S/C12H14N2O3.ClH/c1-15-10-4-3-8(5-12(10)16-2)11-6-9(7-13)14-17-11;/h3-6H,7,13H2,1-2H3;1H
InChIKeyLFXYNBWPFOMINX-UHFFFAOYSA-N
XLogP2.24
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride (CID 46737049) is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride is COc1ccc(-c2cc(CN)no2)cc1OC.Cl.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The InChIKey is LFXYNBWPFOMINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.ClH/c1-15-10-4-3-8(5-12(10)16-2)11-6-9(7-13)14-17-11;/h3-6H,7,13H2,1-2H3;1H.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride has a molecular weight of 270.72 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 46737049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).