2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine

C11H16N4O4 — CID 104633923

IUPAC2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(-c2cc(COC)on2)n1
InChIInChI=1S/C11H16N4O4/c1-3-17-6-8(12)10-13-11(19-15-10)9-4-7(5-16-2)18-14-9/h4,8H,3,5-6,12H2,1-2H3
InChIKeyVTYSAFUFVCCIEA-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.91
Rot. Bonds7

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

2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104633923) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104633923
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(-c2cc(COC)on2)n1
InChIInChI=1S/C11H16N4O4/c1-3-17-6-8(12)10-13-11(19-15-10)9-4-7(5-16-2)18-14-9/h4,8H,3,5-6,12H2,1-2H3
InChIKeyVTYSAFUFVCCIEA-UHFFFAOYSA-N
XLogP0.91
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 104634129
2-ethoxy-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104639551
1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636665
2-ethoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634109
ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylate
CID 66157601
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
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
2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633935
5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid
CID 66157603
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633581

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 104633923) is 2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine is CCOCC(N)c1noc(-c2cc(COC)on2)n1.
What is the InChIKey of 2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is VTYSAFUFVCCIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-3-17-6-8(12)10-13-11(19-15-10)9-4-7(5-16-2)18-14-9/h4,8H,3,5-6,12H2,1-2H3.
What are the key properties of 2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 268.27 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104633923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).