3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile

C13H6FN5O — CID 71453395

IUPAC3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2nc(-c3cnccn3)no2)c1
InChIInChI=1S/C13H6FN5O/c14-10-4-8(6-15)3-9(5-10)13-18-12(19-20-13)11-7-16-1-2-17-11/h1-5,7H
InChIKeyNBLCXLMMHPGZSD-UHFFFAOYSA-N
MW267.22 g/mol
LogP2.20
Rot. Bonds2

About 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile

3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (PubChem CID 71453395) has the molecular formula C13H6FN5O and a molecular weight of 267.22 g/mol. Its IUPAC name is 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
PubChem CID71453395
Molecular FormulaC13H6FN5O
Molecular Weight267.22 g/mol
Exact Mass267.06
IUPAC Name3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2nc(-c3cnccn3)no2)c1
InChIInChI=1S/C13H6FN5O/c14-10-4-8(6-15)3-9(5-10)13-18-12(19-20-13)11-7-16-1-2-17-11/h1-5,7H
InChIKeyNBLCXLMMHPGZSD-UHFFFAOYSA-N
XLogP2.20
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (CID 71453395) is 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is N#Cc1cc(F)cc(-c2nc(-c3cnccn3)no2)c1.
What is the InChIKey of 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The InChIKey is NBLCXLMMHPGZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FN5O/c14-10-4-8(6-15)3-9(5-10)13-18-12(19-20-13)11-7-16-1-2-17-11/h1-5,7H.
What are the key properties of 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile has a molecular weight of 267.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is sourced from PubChem (CID 71453395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).