2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C10H13F5N4O2 — CID 104636187

IUPAC2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(CN1CCOCC1)c1noc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H13F5N4O2/c11-9(12,10(13,14)15)8-17-7(18-21-8)6(16)5-19-1-3-20-4-2-19/h6H,1-5,16H2
InChIKeyQIRJCWVTIZURJF-UHFFFAOYSA-N
MW316.23 g/mol
LogP1.06
Rot. Bonds4

About 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104636187) has the molecular formula C10H13F5N4O2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104636187
Molecular FormulaC10H13F5N4O2
Molecular Weight316.23 g/mol
Exact Mass316.10
IUPAC Name2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(CN1CCOCC1)c1noc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H13F5N4O2/c11-9(12,10(13,14)15)8-17-7(18-21-8)6(16)5-19-1-3-20-4-2-19/h6H,1-5,16H2
InChIKeyQIRJCWVTIZURJF-UHFFFAOYSA-N
XLogP1.06
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 113435617
1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636243
2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636131
2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636166
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 114876459
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104786455
2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636221
2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636222
3-(1-amino-2-morpholin-4-ylethyl)-4H-1,2,4-oxadiazol-5-one
CID 136754750
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634387
1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636160

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104636187) is 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine is NC(CN1CCOCC1)c1noc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is QIRJCWVTIZURJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5N4O2/c11-9(12,10(13,14)15)8-17-7(18-21-8)6(16)5-19-1-3-20-4-2-19/h6H,1-5,16H2.
What are the key properties of 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 316.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104636187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).