2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile

C19H16N4O — CID 58076999

IUPAC2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile
SMILESCc1cccc(N2CCc3oc(-c4ccccn4)nc3C2)c1C#N
InChIInChI=1S/C19H16N4O/c1-13-5-4-7-17(14(13)11-20)23-10-8-18-16(12-23)22-19(24-18)15-6-2-3-9-21-15/h2-7,9H,8,10,12H2,1H3
InChIKeyNPYOSPYULCSFSI-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.48
Rot. Bonds2

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

2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile (PubChem CID 58076999) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile
PubChem CID58076999
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile
SMILESCc1cccc(N2CCc3oc(-c4ccccn4)nc3C2)c1C#N
InChIInChI=1S/C19H16N4O/c1-13-5-4-7-17(14(13)11-20)23-10-8-18-16(12-23)22-19(24-18)15-6-2-3-9-21-15/h2-7,9H,8,10,12H2,1H3
InChIKeyNPYOSPYULCSFSI-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile?
The IUPAC name of 2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile (CID 58076999) is 2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile?
The canonical SMILES for 2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile is Cc1cccc(N2CCc3oc(-c4ccccn4)nc3C2)c1C#N.
What is the InChIKey of 2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile?
The InChIKey is NPYOSPYULCSFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-5-4-7-17(14(13)11-20)23-10-8-18-16(12-23)22-19(24-18)15-6-2-3-9-21-15/h2-7,9H,8,10,12H2,1H3.
What are the key properties of 2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile?
2-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile 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-methyl-6-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 58076999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).