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

C7H6F3N5O2 — CID 79952974

IUPAC4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C7H6F3N5O2/c8-7(9,10)2-1-3-12-6(16-13-3)4-5(11)15-17-14-4/h1-2H2,(H2,11,15)
InChIKeyCKUIEJRKQSWJRO-UHFFFAOYSA-N
MW249.15 g/mol
LogP1.20
Rot. Bonds3

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

4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 79952974) has the molecular formula C7H6F3N5O2 and a molecular weight of 249.15 g/mol. Its IUPAC name is 4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID79952974
Molecular FormulaC7H6F3N5O2
Molecular Weight249.15 g/mol
Exact Mass249.05
IUPAC Name4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C7H6F3N5O2/c8-7(9,10)2-1-3-12-6(16-13-3)4-5(11)15-17-14-4/h1-2H2,(H2,11,15)
InChIKeyCKUIEJRKQSWJRO-UHFFFAOYSA-N
XLogP1.20
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-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-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 82008374
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
4-(3-Methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 5311560
4-[5-(4-Methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 89842805
3-Methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole
CID 118330355

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 79952974) is 4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(CCC(F)(F)F)no1.
What is the InChIKey of 4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is CKUIEJRKQSWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5O2/c8-7(9,10)2-1-3-12-6(16-13-3)4-5(11)15-17-14-4/h1-2H2,(H2,11,15).
What are the key properties of 4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 249.15 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 79952974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).