2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile

C19H16N4O — CID 46932575

IUPAC2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile
SMILESCc1cccc(-c2nc3c(o2)CN(c2ncccc2C#N)CC3)c1
InChIInChI=1S/C19H16N4O/c1-13-4-2-5-14(10-13)19-22-16-7-9-23(12-17(16)24-19)18-15(11-20)6-3-8-21-18/h2-6,8,10H,7,9,12H2,1H3
InChIKeyIBXFMDWKEXZCDO-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.48
Rot. Bonds2

About 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile

2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile (PubChem CID 46932575) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile
PubChem CID46932575
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile
SMILESCc1cccc(-c2nc3c(o2)CN(c2ncccc2C#N)CC3)c1
InChIInChI=1S/C19H16N4O/c1-13-4-2-5-14(10-13)19-22-16-7-9-23(12-17(16)24-19)18-15(11-20)6-3-8-21-18/h2-6,8,10H,7,9,12H2,1H3
InChIKeyIBXFMDWKEXZCDO-UHFFFAOYSA-N
XLogP3.48
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 46932863
2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile
CID 66706210
2-(3-chlorophenyl)-5-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile;bis(2-(4-fluorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);2-[2-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile;2-[2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile;2-(4-methylphenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyridine-3-carbonitrile;2-phenyl-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 159657369
2-(3-isocyanophenyl)-5-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
CID 58076714
2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
CID 175648463
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 47299056
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-3-carbonitrile
CID 72911571
5-(3-fluoro-5-methylphenyl)-7-methyl-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-fluoro-5-methylphenyl)-2-pyrimidin-4-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile;2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;bis(5-(3-methylphenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-(3-methylphenyl)-2-pyridin-4-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-(3-methylphenyl)-2-pyrimidin-4-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 159228790

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile (CID 46932575) is 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile is Cc1cccc(-c2nc3c(o2)CN(c2ncccc2C#N)CC3)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile?
The InChIKey is IBXFMDWKEXZCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-4-2-5-14(10-13)19-22-16-7-9-23(12-17(16)24-19)18-15(11-20)6-3-8-21-18/h2-6,8,10H,7,9,12H2,1H3.
What are the key properties of 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile?
2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 46932575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).