3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile

C11H8F2N4O — CID 106398946

IUPAC3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
SMILESN#Cc1cc(F)c(NCCc2ncon2)c(F)c1
InChIInChI=1S/C11H8F2N4O/c12-8-3-7(5-14)4-9(13)11(8)15-2-1-10-16-6-18-17-10/h3-4,6,15H,1-2H2
InChIKeyBLISPKLCBOGRDE-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.87
Rot. Bonds4

About 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile

3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile (PubChem CID 106398946) has the molecular formula C11H8F2N4O and a molecular weight of 250.21 g/mol. Its IUPAC name is 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
PubChem CID106398946
Molecular FormulaC11H8F2N4O
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
SMILESN#Cc1cc(F)c(NCCc2ncon2)c(F)c1
InChIInChI=1S/C11H8F2N4O/c12-8-3-7(5-14)4-9(13)11(8)15-2-1-10-16-6-18-17-10/h3-4,6,15H,1-2H2
InChIKeyBLISPKLCBOGRDE-UHFFFAOYSA-N
XLogP1.87
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile?
The IUPAC name of 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile (CID 106398946) is 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile?
The canonical SMILES for 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile is N#Cc1cc(F)c(NCCc2ncon2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile?
The InChIKey is BLISPKLCBOGRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O/c12-8-3-7(5-14)4-9(13)11(8)15-2-1-10-16-6-18-17-10/h3-4,6,15H,1-2H2.
What are the key properties of 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile?
3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile has a molecular weight of 250.21 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile is sourced from PubChem (CID 106398946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).