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

C15H10N4O — CID 59047177

IUPAC4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESCc1ccc(C#N)cc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C15H10N4O/c1-10-5-6-11(9-16)8-12(10)15-18-14(19-20-15)13-4-2-3-7-17-13/h2-8H,1H3
InChIKeyQWLYRACQXWMXDG-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.98
Rot. Bonds2

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

4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (PubChem CID 59047177) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
PubChem CID59047177
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESCc1ccc(C#N)cc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C15H10N4O/c1-10-5-6-11(9-16)8-12(10)15-18-14(19-20-15)13-4-2-3-7-17-13/h2-8H,1H3
InChIKeyQWLYRACQXWMXDG-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
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile
CID 103739760
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 106526186
3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103827436
3-methyl-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106525960
3-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912385
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 1484241
3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39819329
5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 142165311
5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 146124457

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The IUPAC name of 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (CID 59047177) is 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.
What is the SMILES notation for 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The canonical SMILES for 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is Cc1ccc(C#N)cc1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The InChIKey is QWLYRACQXWMXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c1-10-5-6-11(9-16)8-12(10)15-18-14(19-20-15)13-4-2-3-7-17-13/h2-8H,1H3.
What are the key properties of 4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
4-methyl-3-(3-pyridin-2-yl-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-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is sourced from PubChem (CID 59047177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).