2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine

C14H18N2O3 — CID 96666077

IUPAC2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)co2)c(OC)c1C
InChIInChI=1S/C14H18N2O3/c1-9-12(17-2)5-4-11(13(9)18-3)14-16-10(6-7-15)8-19-14/h4-5,8H,6-7,15H2,1-3H3
InChIKeyRPJUYENXQWNMJX-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.17
Rot. Bonds5

About 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine

2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 96666077) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID96666077
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)co2)c(OC)c1C
InChIInChI=1S/C14H18N2O3/c1-9-12(17-2)5-4-11(13(9)18-3)14-16-10(6-7-15)8-19-14/h4-5,8H,6-7,15H2,1-3H3
InChIKeyRPJUYENXQWNMJX-UHFFFAOYSA-N
XLogP2.17
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82479428
2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82489230
2-[6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-yl]ethanamine
CID 82300077
[4-(2,4-dimethoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82302244
2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 82479464
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
2-(2,3-dimethoxyphenyl)-4-ethyl-1,3-oxazole
CID 144909946
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 82477362
4-(2,4-dimethoxy-3-methylphenyl)-2,6-dimethylpyrimidin-5-amine
CID 96669062

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine (CID 96666077) is 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine is COc1ccc(-c2nc(CCN)co2)c(OC)c1C.
What is the InChIKey of 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is RPJUYENXQWNMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-12(17-2)5-4-11(13(9)18-3)14-16-10(6-7-15)8-19-14/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine?
2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 262.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 96666077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).