2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine

C14H18N2O2 — CID 82479464

IUPAC2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCOc1ccc(-c2cc(CCN)no2)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-9-10(2)13(17-3)5-4-12(9)14-8-11(6-7-15)16-18-14/h4-5,8H,6-7,15H2,1-3H3
InChIKeyYYGQAMMKTAVOTD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.47
Rot. Bonds4

About 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine

2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine (PubChem CID 82479464) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
PubChem CID82479464
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCOc1ccc(-c2cc(CCN)no2)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-9-10(2)13(17-3)5-4-12(9)14-8-11(6-7-15)16-18-14/h4-5,8H,6-7,15H2,1-3H3
InChIKeyYYGQAMMKTAVOTD-UHFFFAOYSA-N
XLogP2.47
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96665567
2-[6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-yl]ethanamine
CID 82300077
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96666077
2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96662742
[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82300078
[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 82160263
[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82485187
5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117419900
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
CID 95732607
[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol
CID 82049731

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine (CID 82479464) is 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine is COc1ccc(-c2cc(CCN)no2)c(C)c1C.
What is the InChIKey of 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine?
The InChIKey is YYGQAMMKTAVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-10(2)13(17-3)5-4-12(9)14-8-11(6-7-15)16-18-14/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine?
2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine is sourced from PubChem (CID 82479464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).