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

C5H2F3N5O2 — CID 82008374

IUPAC4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(C(F)(F)F)no1
InChIInChI=1S/C5H2F3N5O2/c6-5(7,8)4-10-3(14-13-4)1-2(9)12-15-11-1/h(H2,9,12)
InChIKeyDESYVXFDBKQBKA-UHFFFAOYSA-N
MW221.10 g/mol
LogP0.72
Rot. Bonds1

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

4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 82008374) has the molecular formula C5H2F3N5O2 and a molecular weight of 221.10 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID82008374
Molecular FormulaC5H2F3N5O2
Molecular Weight221.10 g/mol
Exact Mass221.02
IUPAC Name4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(C(F)(F)F)no1
InChIInChI=1S/C5H2F3N5O2/c6-5(7,8)4-10-3(14-13-4)1-2(9)12-15-11-1/h(H2,9,12)
InChIKeyDESYVXFDBKQBKA-UHFFFAOYSA-N
XLogP0.72
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 1897597
4-[5-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 616774
3,5-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2,4lambda~5~-oxadiazol-4-ol
CID 394432
3,5-Bis(4-nitrofurazan-3-yl)-1,2,4-oxadiazole
CID 89837622
3-Amino-4-(1,2,4-oxadiazol-5-yl)furazan
CID 82234748
3-Amino-4-(3-amino-1,2,4-oxadiazolyl)furoxan
CID 145713963
4-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808221
4-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 79952974
4-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 103146095
4-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 103146384
4-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 103472541
4-[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 103472979

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 82008374) is 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(C(F)(F)F)no1.
What is the InChIKey of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is DESYVXFDBKQBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3N5O2/c6-5(7,8)4-10-3(14-13-4)1-2(9)12-15-11-1/h(H2,9,12).
What are the key properties of 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 221.10 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 82008374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).