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

C14H18N2O2 — CID 82479428

IUPAC2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCOc1cc(C)c(C)cc1-c1nc(CCN)co1
InChIInChI=1S/C14H18N2O2/c1-9-6-12(13(17-3)7-10(9)2)14-16-11(4-5-15)8-18-14/h6-8H,4-5,15H2,1-3H3
InChIKeyMBDKIHQYURVGLY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.47
Rot. Bonds4

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

2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 82479428) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID82479428
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCOc1cc(C)c(C)cc1-c1nc(CCN)co1
InChIInChI=1S/C14H18N2O2/c1-9-6-12(13(17-3)7-10(9)2)14-16-11(4-5-15)8-18-14/h6-8H,4-5,15H2,1-3H3
InChIKeyMBDKIHQYURVGLY-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

2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96666077
2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82489230
2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 82477362
2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82304626
1-[2-(2-methoxy-5-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 65287926
[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82086154
4-(isocyanomethyl)-2-(4-methoxyphenyl)-1,3-oxazole;2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 160657238
N-[[2-(2,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288580
N-[[2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288094
2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 82479464

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine (CID 82479428) is 2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine is COc1cc(C)c(C)cc1-c1nc(CCN)co1.
What is the InChIKey of 2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is MBDKIHQYURVGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-6-12(13(17-3)7-10(9)2)14-16-11(4-5-15)8-18-14/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine?
2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-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-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82479428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).