4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine

C11H16F3N3O3 — CID 103145960

IUPAC4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESNC1(c2nc(CCOCC(F)(F)F)no2)CCOCC1
InChIInChI=1S/C11H16F3N3O3/c12-11(13,14)7-19-4-1-8-16-9(20-17-8)10(15)2-5-18-6-3-10/h1-7,15H2
InChIKeyWIOBKSWVGCOVTQ-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.16
Rot. Bonds5

About 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine

4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 103145960) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID103145960
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESNC1(c2nc(CCOCC(F)(F)F)no2)CCOCC1
InChIInChI=1S/C11H16F3N3O3/c12-11(13,14)7-19-4-1-8-16-9(20-17-8)10(15)2-5-18-6-3-10/h1-7,15H2
InChIKeyWIOBKSWVGCOVTQ-UHFFFAOYSA-N
XLogP1.16
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.16
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

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CID 126821643
CID 126821643
CID 43608763
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CID 64108810
CID 64108810
CID 64174129
CID 64174129
CID 64887875
CID 64887875
CID 79797899
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CID 79797988
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CID 79797991
CID 79797991

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 103145960) is 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine is NC1(c2nc(CCOCC(F)(F)F)no2)CCOCC1.
What is the InChIKey of 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is WIOBKSWVGCOVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c12-11(13,14)7-19-4-1-8-16-9(20-17-8)10(15)2-5-18-6-3-10/h1-7,15H2.
What are the key properties of 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine?
4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 295.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 103145960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).