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

C16H12N4O — CID 106524829

IUPAC2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
SMILESCc1cccc(-c2noc(-c3ccccc3CC#N)n2)n1
InChIInChI=1S/C16H12N4O/c1-11-5-4-8-14(18-11)15-19-16(21-20-15)13-7-3-2-6-12(13)9-10-17/h2-8H,9H2,1H3
InChIKeyWAWACHVDLOTELQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.17
Rot. Bonds3

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

2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile (PubChem CID 106524829) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
PubChem CID106524829
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
SMILESCc1cccc(-c2noc(-c3ccccc3CC#N)n2)n1
InChIInChI=1S/C16H12N4O/c1-11-5-4-8-14(18-11)15-19-16(21-20-15)13-7-3-2-6-12(13)9-10-17/h2-8H,9H2,1H3
InChIKeyWAWACHVDLOTELQ-UHFFFAOYSA-N
XLogP3.17
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
CID 106526421
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106523915
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677046
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527254
3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 154747111
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701048
2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527278
3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
CID 63556167
4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63555394
2-methyl-N-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 63555395
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
The IUPAC name of 2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile (CID 106524829) is 2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile is Cc1cccc(-c2noc(-c3ccccc3CC#N)n2)n1.
What is the InChIKey of 2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
The InChIKey is WAWACHVDLOTELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-5-4-8-14(18-11)15-19-16(21-20-15)13-7-3-2-6-12(13)9-10-17/h2-8H,9H2,1H3.
What are the key properties of 2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile?
2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile is sourced from PubChem (CID 106524829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).