2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C8H14FN3O — CID 68753052

IUPAC2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)(CF)c1nc(CCN)no1
InChIInChI=1S/C8H14FN3O/c1-8(2,5-9)7-11-6(3-4-10)12-13-7/h3-5,10H2,1-2H3
InChIKeyMYFYYHWRYZOQHY-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.82
Rot. Bonds4

About 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 68753052) has the molecular formula C8H14FN3O and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID68753052
Molecular FormulaC8H14FN3O
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)(CF)c1nc(CCN)no1
InChIInChI=1S/C8H14FN3O/c1-8(2,5-9)7-11-6(3-4-10)12-13-7/h3-5,10H2,1-2H3
InChIKeyMYFYYHWRYZOQHY-UHFFFAOYSA-N
XLogP0.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 68753052) is 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(C)(CF)c1nc(CCN)no1.
What is the InChIKey of 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is MYFYYHWRYZOQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O/c1-8(2,5-9)7-11-6(3-4-10)12-13-7/h3-5,10H2,1-2H3.
What are the key properties of 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 187.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 68753052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).