4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile

C15H10N4O — CID 104677046

IUPAC4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCc1cccc(-c2noc(-c3ccc(C#N)cc3)n2)n1
InChIInChI=1S/C15H10N4O/c1-10-3-2-4-13(17-10)14-18-15(20-19-14)12-7-5-11(9-16)6-8-12/h2-8H,1H3
InChIKeyGNIZXLADPWHDFE-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.98
Rot. Bonds2

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

4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 104677046) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID104677046
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCc1cccc(-c2noc(-c3ccc(C#N)cc3)n2)n1
InChIInChI=1S/C15H10N4O/c1-10-3-2-4-13(17-10)14-18-15(20-19-14)12-7-5-11(9-16)6-8-12/h2-8H,1H3
InChIKeyGNIZXLADPWHDFE-UHFFFAOYSA-N
XLogP2.98
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526811
2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106524829
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
4-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 53170084
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526530
4-[3-[3-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 46044016
4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526858
4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 102660571
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701048

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 104677046) is 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile is Cc1cccc(-c2noc(-c3ccc(C#N)cc3)n2)n1.
What is the InChIKey of 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is GNIZXLADPWHDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c1-10-3-2-4-13(17-10)14-18-15(20-19-14)12-7-5-11(9-16)6-8-12/h2-8H,1H3.
What are the key properties of 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 262.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 104677046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).