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

C17H13N5O — CID 46932381

IUPAC2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCc2nc(-c3ccccn3)oc2C1
InChIInChI=1S/C17H13N5O/c18-10-12-4-3-8-20-16(12)22-9-6-13-15(11-22)23-17(21-13)14-5-1-2-7-19-14/h1-5,7-8H,6,9,11H2
InChIKeyCHVXANPQEAFDOH-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.57
Rot. Bonds2

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

2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile (PubChem CID 46932381) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile
PubChem CID46932381
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCc2nc(-c3ccccn3)oc2C1
InChIInChI=1S/C17H13N5O/c18-10-12-4-3-8-20-16(12)22-9-6-13-15(11-22)23-17(21-13)14-5-1-2-7-19-14/h1-5,7-8H,6,9,11H2
InChIKeyCHVXANPQEAFDOH-UHFFFAOYSA-N
XLogP2.57
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile (CID 46932381) is 2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCc2nc(-c3ccccn3)oc2C1.
What is the InChIKey of 2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile?
The InChIKey is CHVXANPQEAFDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-10-12-4-3-8-20-16(12)22-9-6-13-15(11-22)23-17(21-13)14-5-1-2-7-19-14/h1-5,7-8H,6,9,11H2.
What are the key properties of 2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile?
2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile has a molecular weight of 303.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 46932381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).