2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine

C11H18F3N3O3 — CID 103211816

IUPAC2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)OCC(N)c1noc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O3/c1-7(2)19-5-8(15)10-16-9(20-17-10)3-4-18-6-11(12,13)14/h7-8H,3-6,15H2,1-2H3
InChIKeyZXYHZLNQTQGTCO-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.62
Rot. Bonds8

About 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine

2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 103211816) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID103211816
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)OCC(N)c1noc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O3/c1-7(2)19-5-8(15)10-16-9(20-17-10)3-4-18-6-11(12,13)14/h7-8H,3-6,15H2,1-2H3
InChIKeyZXYHZLNQTQGTCO-UHFFFAOYSA-N
XLogP1.62
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yloxy-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211850
2-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104879987
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634696
1-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634665
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435486
N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 103211824
3-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103145958
2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 103211802
1-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634543
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 103022287
2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62715829

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 103211816) is 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine is CC(C)OCC(N)c1noc(CCOCC(F)(F)F)n1.
What is the InChIKey of 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is ZXYHZLNQTQGTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-7(2)19-5-8(15)10-16-9(20-17-10)3-4-18-6-11(12,13)14/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 297.28 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 103211816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).