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

C14H8N4O — CID 103655221

IUPAC4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H8N4O/c15-9-10-4-6-11(7-5-10)14-17-13(18-19-14)12-3-1-2-8-16-12/h1-8H
InChIKeyPYWMFFMYBJSJQF-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.67
Rot. Bonds2

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

4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (PubChem CID 103655221) has the molecular formula C14H8N4O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
PubChem CID103655221
Molecular FormulaC14H8N4O
Molecular Weight248.25 g/mol
Exact Mass248.07
IUPAC Name4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H8N4O/c15-9-10-4-6-11(7-5-10)14-17-13(18-19-14)12-3-1-2-8-16-12/h1-8H
InChIKeyPYWMFFMYBJSJQF-UHFFFAOYSA-N
XLogP2.67
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 59047177
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677046
5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 867097
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile
CID 103739760
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
CID 99839573
5-[4-[(2-chlorophenyl)methoxy]phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 8814544

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The IUPAC name of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (CID 103655221) is 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.
What is the SMILES notation for 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The canonical SMILES for 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is N#Cc1ccc(-c2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The InChIKey is PYWMFFMYBJSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O/c15-9-10-4-6-11(7-5-10)14-17-13(18-19-14)12-3-1-2-8-16-12/h1-8H.
What are the key properties of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile has a molecular weight of 248.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is sourced from PubChem (CID 103655221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).