1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine

C13H17N3O2 — CID 104633581

IUPAC1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
SMILESCCc1ccc(-c2nc(C(N)COC)no2)cc1
InChIInChI=1S/C13H17N3O2/c1-3-9-4-6-10(7-5-9)13-15-12(16-18-13)11(14)8-17-2/h4-7,11H,3,8,14H2,1-2H3
InChIKeyTXUKUHJOYGATKV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.95
Rot. Bonds5

About 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine

1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine (PubChem CID 104633581) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine.

Molecular Properties

Compound Name1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
PubChem CID104633581
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
SMILESCCc1ccc(-c2nc(C(N)COC)no2)cc1
InChIInChI=1S/C13H17N3O2/c1-3-9-4-6-10(7-5-9)13-15-12(16-18-13)11(14)8-17-2/h4-7,11H,3,8,14H2,1-2H3
InChIKeyTXUKUHJOYGATKV-UHFFFAOYSA-N
XLogP1.95
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633580
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634440
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633731
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633744
2-methoxy-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633592
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 107965425
1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633813
2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633749
2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 102547892
2-methoxy-1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633650
1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 107974498
1-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633816

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The IUPAC name of 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine (CID 104633581) is 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine.
What is the SMILES notation for 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The canonical SMILES for 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine is CCc1ccc(-c2nc(C(N)COC)no2)cc1.
What is the InChIKey of 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The InChIKey is TXUKUHJOYGATKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-9-4-6-10(7-5-9)13-15-12(16-18-13)11(14)8-17-2/h4-7,11H,3,8,14H2,1-2H3.
What are the key properties of 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine is sourced from PubChem (CID 104633581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).