1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C10H13F6N3O2 — CID 103310878

IUPAC1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(C(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H13F6N3O2/c1-3-20-4-8(2,17)7-18-6(21-19-7)5(9(11,12)13)10(14,15)16/h5H,3-4,17H2,1-2H3
InChIKeyQGWJJSTYIFQWPB-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.49
Rot. Bonds5

About 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 103310878) has the molecular formula C10H13F6N3O2 and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID103310878
Molecular FormulaC10H13F6N3O2
Molecular Weight321.22 g/mol
Exact Mass321.09
IUPAC Name1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(C(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H13F6N3O2/c1-3-20-4-8(2,17)7-18-6(21-19-7)5(9(11,12)13)10(14,15)16/h5H,3-4,17H2,1-2H3
InChIKeyQGWJJSTYIFQWPB-UHFFFAOYSA-N
XLogP2.49
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636674
1-ethoxy-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636628
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
2-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637345
1-ethoxy-2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 102922612
2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636799
2-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636424
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
4-[3-(2-amino-1-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 104636619
2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-1-ethoxypropan-2-amine
CID 104636868
1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435692
2-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 113435718

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 103310878) is 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCOCC(C)(N)c1noc(C(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is QGWJJSTYIFQWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N3O2/c1-3-20-4-8(2,17)7-18-6(21-19-7)5(9(11,12)13)10(14,15)16/h5H,3-4,17H2,1-2H3.
What are the key properties of 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 321.22 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 103310878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).