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

C13H6F4N4O — CID 100695116

IUPAC3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3cnccn3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C13H6F4N4O/c14-7-1-2-8(9(5-7)13(15,16)17)11-20-12(22-21-11)10-6-18-3-4-19-10/h1-6H
InChIKeyMEFRVVLGZUJDFX-UHFFFAOYSA-N
MW310.21 g/mol
LogP3.35
Rot. Bonds2

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

3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 100695116) has the molecular formula C13H6F4N4O and a molecular weight of 310.21 g/mol. Its IUPAC name is 3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID100695116
Molecular FormulaC13H6F4N4O
Molecular Weight310.21 g/mol
Exact Mass310.05
IUPAC Name3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3cnccn3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C13H6F4N4O/c14-7-1-2-8(9(5-7)13(15,16)17)11-20-12(22-21-11)10-6-18-3-4-19-10/h1-6H
InChIKeyMEFRVVLGZUJDFX-UHFFFAOYSA-N
XLogP3.35
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole (CID 100695116) is 3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3cnccn3)n2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is MEFRVVLGZUJDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N4O/c14-7-1-2-8(9(5-7)13(15,16)17)11-20-12(22-21-11)10-6-18-3-4-19-10/h1-6H.
What are the key properties of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 310.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 100695116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).