5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile

C15H7N5O — CID 71453394

IUPAC5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C15H7N5O/c16-8-10-5-11(9-17)7-12(6-10)15-19-14(20-21-15)13-3-1-2-4-18-13/h1-7H
InChIKeyXQDIXUWHADHFDT-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.54
Rot. Bonds2

About 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile

5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 71453394) has the molecular formula C15H7N5O and a molecular weight of 273.26 g/mol. Its IUPAC name is 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID71453394
Molecular FormulaC15H7N5O
Molecular Weight273.26 g/mol
Exact Mass273.07
IUPAC Name5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C15H7N5O/c16-8-10-5-11(9-17)7-12(6-10)15-19-14(20-21-15)13-3-1-2-4-18-13/h1-7H
InChIKeyXQDIXUWHADHFDT-UHFFFAOYSA-N
XLogP2.54
TPSA99.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile (CID 71453394) is 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2nc(-c3ccccn3)no2)c1.
What is the InChIKey of 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is XQDIXUWHADHFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7N5O/c16-8-10-5-11(9-17)7-12(6-10)15-19-14(20-21-15)13-3-1-2-4-18-13/h1-7H.
What are the key properties of 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile?
5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile has a molecular weight of 273.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 71453394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).