2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine

C15H16N4O2 — CID 104633966

IUPAC2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCOCC(N)c1noc(-c2ccnc3ccccc23)n1
InChIInChI=1S/C15H16N4O2/c1-2-20-9-12(16)14-18-15(21-19-14)11-7-8-17-13-6-4-3-5-10(11)13/h3-8,12H,2,9,16H2,1H3
InChIKeyFUYBMDHSLWMRPL-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.32
Rot. Bonds5

About 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine

2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 104633966) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID104633966
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCOCC(N)c1noc(-c2ccnc3ccccc23)n1
InChIInChI=1S/C15H16N4O2/c1-2-20-9-12(16)14-18-15(21-19-14)11-7-8-17-13-6-4-3-5-10(11)13/h3-8,12H,2,9,16H2,1H3
InChIKeyFUYBMDHSLWMRPL-UHFFFAOYSA-N
XLogP2.32
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 114375359
2-ethoxy-1-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633859
1-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 104634129
2-ethoxy-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435421
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 104634100
2-ethoxy-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104639551
1-[5-(1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634363
(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol
CID 102660418
2-ethoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634109
1-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633816
2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633935
2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633955

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine (CID 104633966) is 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine is CCOCC(N)c1noc(-c2ccnc3ccccc23)n1.
What is the InChIKey of 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is FUYBMDHSLWMRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-20-9-12(16)14-18-15(21-19-14)11-7-8-17-13-6-4-3-5-10(11)13/h3-8,12H,2,9,16H2,1H3.
What are the key properties of 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine?
2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 284.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 104633966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).