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

C8H8F3N5O3 — CID 103146095

IUPAC4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C8H8F3N5O3/c9-8(10,11)3-17-2-1-4-13-7(18-14-4)5-6(12)16-19-15-5/h1-3H2,(H2,12,16)
InChIKeyJXAHYWADSZCAIS-UHFFFAOYSA-N
MW279.18 g/mol
LogP0.82
Rot. Bonds5

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

4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 103146095) has the molecular formula C8H8F3N5O3 and a molecular weight of 279.18 g/mol. Its IUPAC name is 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID103146095
Molecular FormulaC8H8F3N5O3
Molecular Weight279.18 g/mol
Exact Mass279.06
IUPAC Name4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C8H8F3N5O3/c9-8(10,11)3-17-2-1-4-13-7(18-14-4)5-6(12)16-19-15-5/h1-3H2,(H2,12,16)
InChIKeyJXAHYWADSZCAIS-UHFFFAOYSA-N
XLogP0.82
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 103146095) is 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(CCOCC(F)(F)F)no1.
What is the InChIKey of 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is JXAHYWADSZCAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O3/c9-8(10,11)3-17-2-1-4-13-7(18-14-4)5-6(12)16-19-15-5/h1-3H2,(H2,12,16).
What are the key properties of 4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 279.18 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 103146095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).