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

C16H22N2O2 — CID 96669709

IUPAC2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
SMILESCCOc1cc(C)c(-c2onc(C)c2CCN)cc1C
InChIInChI=1S/C16H22N2O2/c1-5-19-15-9-10(2)14(8-11(15)3)16-13(6-7-17)12(4)18-20-16/h8-9H,5-7,17H2,1-4H3
InChIKeyCCKKNAVUZSTONB-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.17
Rot. Bonds5

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

2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine (PubChem CID 96669709) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
PubChem CID96669709
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
SMILESCCOc1cc(C)c(-c2onc(C)c2CCN)cc1C
InChIInChI=1S/C16H22N2O2/c1-5-19-15-9-10(2)14(8-11(15)3)16-13(6-7-17)12(4)18-20-16/h8-9H,5-7,17H2,1-4H3
InChIKeyCCKKNAVUZSTONB-UHFFFAOYSA-N
XLogP3.17
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82479432
2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82482086
2-[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360147
2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82487138
2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96662742
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82483679
[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360109
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117373528
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine
CID 82295331
5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine
CID 82478515

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine (CID 96669709) is 2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine is CCOc1cc(C)c(-c2onc(C)c2CCN)cc1C.
What is the InChIKey of 2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
The InChIKey is CCKKNAVUZSTONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-19-15-9-10(2)14(8-11(15)3)16-13(6-7-17)12(4)18-20-16/h8-9H,5-7,17H2,1-4H3.
What are the key properties of 2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 96669709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).