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

C11H21N3O2 — CID 104633955

IUPAC2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(C(C)C(C)C)n1
InChIInChI=1S/C11H21N3O2/c1-5-15-6-9(12)10-13-11(16-14-10)8(4)7(2)3/h7-9H,5-6,12H2,1-4H3
InChIKeyRTMDSBFYNDWCNO-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.87
Rot. Bonds6

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

2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104633955) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104633955
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(C(C)C(C)C)n1
InChIInChI=1S/C11H21N3O2/c1-5-15-6-9(12)10-13-11(16-14-10)8(4)7(2)3/h7-9H,5-6,12H2,1-4H3
InChIKeyRTMDSBFYNDWCNO-UHFFFAOYSA-N
XLogP1.87
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435450
2-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999
1-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 104634129
2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 113435433
2-ethoxy-1-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633859
2-ethoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634109
2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634069
2-ethoxy-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435421
2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633817
2-ethoxy-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104639551
2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633935
2-ethoxy-1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633922

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104633955) is 2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CCOCC(N)c1noc(C(C)C(C)C)n1.
What is the InChIKey of 2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is RTMDSBFYNDWCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-15-6-9(12)10-13-11(16-14-10)8(4)7(2)3/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104633955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).