6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile

C18H12N4O2 — CID 137394542

IUPAC6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile
SMILESCN1Cc2ccc(-c3nc(C#N)ccc3-c3cnco3)cc2C1=O
InChIInChI=1S/C18H12N4O2/c1-22-9-12-3-2-11(6-15(12)18(22)23)17-14(16-8-20-10-24-16)5-4-13(7-19)21-17/h2-6,8,10H,9H2,1H3
InChIKeyDOEFKVKBYUIMQQ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.86
Rot. Bonds2

About 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile

6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile (PubChem CID 137394542) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile
PubChem CID137394542
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile
SMILESCN1Cc2ccc(-c3nc(C#N)ccc3-c3cnco3)cc2C1=O
InChIInChI=1S/C18H12N4O2/c1-22-9-12-3-2-11(6-15(12)18(22)23)17-14(16-8-20-10-24-16)5-4-13(7-19)21-17/h2-6,8,10H,9H2,1H3
InChIKeyDOEFKVKBYUIMQQ-UHFFFAOYSA-N
XLogP2.86
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373546
6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 142510542
6-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-3H-isoindol-1-one
CID 165395830
6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one
CID 117357788
6-(3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3H-isoindol-1-one
CID 171706136
6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235
4-(1,3-oxazol-5-yl)benzene-1,3-dicarbonitrile
CID 76539829
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
CID 129285786
6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 137373565
2-methyl-6-sulfanyl-3H-isoindol-1-one
CID 146588374
N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide
CID 171679997

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile (CID 137394542) is 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile is CN1Cc2ccc(-c3nc(C#N)ccc3-c3cnco3)cc2C1=O.
What is the InChIKey of 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile?
The InChIKey is DOEFKVKBYUIMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c1-22-9-12-3-2-11(6-15(12)18(22)23)17-14(16-8-20-10-24-16)5-4-13(7-19)21-17/h2-6,8,10H,9H2,1H3.
What are the key properties of 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile?
6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile has a molecular weight of 316.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137394542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).