5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C16H8F6N4O — CID 91644254

IUPAC5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(/C=C/c2nc(-c3cnccn3)no2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8F6N4O/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)1-2-13-25-14(26-27-13)12-8-23-3-4-24-12/h1-8H/b2-1+
InChIKeyWEGQAVMBFQEJLK-OWOJBTEDSA-N
MW386.26 g/mol
LogP4.73
Rot. Bonds3

About 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 91644254) has the molecular formula C16H8F6N4O and a molecular weight of 386.26 g/mol. Its IUPAC name is 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID91644254
Molecular FormulaC16H8F6N4O
Molecular Weight386.26 g/mol
Exact Mass386.06
IUPAC Name5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(/C=C/c2nc(-c3cnccn3)no2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8F6N4O/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)1-2-13-25-14(26-27-13)12-8-23-3-4-24-12/h1-8H/b2-1+
InChIKeyWEGQAVMBFQEJLK-OWOJBTEDSA-N
XLogP4.73
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 91644254) is 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is FC(F)(F)c1cc(/C=C/c2nc(-c3cnccn3)no2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is WEGQAVMBFQEJLK-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H8F6N4O/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)1-2-13-25-14(26-27-13)12-8-23-3-4-24-12/h1-8H/b2-1+.
What are the key properties of 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 386.26 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91644254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).