2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile

C15H7F2N3O2 — CID 23042028

IUPAC2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-n1nc(-c2c(F)cccc2F)oc1=O
InChIInChI=1S/C15H7F2N3O2/c16-10-5-3-6-11(17)13(10)14-19-20(15(21)22-14)12-7-2-1-4-9(12)8-18/h1-7H
InChIKeyQHZHCWZBDLIYJR-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.64
Rot. Bonds2

About 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile

2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile (PubChem CID 23042028) has the molecular formula C15H7F2N3O2 and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile
PubChem CID23042028
Molecular FormulaC15H7F2N3O2
Molecular Weight299.24 g/mol
Exact Mass299.05
IUPAC Name2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-n1nc(-c2c(F)cccc2F)oc1=O
InChIInChI=1S/C15H7F2N3O2/c16-10-5-3-6-11(17)13(10)14-19-20(15(21)22-14)12-7-2-1-4-9(12)8-18/h1-7H
InChIKeyQHZHCWZBDLIYJR-UHFFFAOYSA-N
XLogP2.64
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile?
The IUPAC name of 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile (CID 23042028) is 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile.
What is the SMILES notation for 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile?
The canonical SMILES for 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile is N#Cc1ccccc1-n1nc(-c2c(F)cccc2F)oc1=O.
What is the InChIKey of 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile?
The InChIKey is QHZHCWZBDLIYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F2N3O2/c16-10-5-3-6-11(17)13(10)14-19-20(15(21)22-14)12-7-2-1-4-9(12)8-18/h1-7H.
What are the key properties of 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile?
2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile has a molecular weight of 299.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-difluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]benzonitrile is sourced from PubChem (CID 23042028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).