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

C22H16N4O — CID 56745627

IUPAC6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCc3onc(-c4cccc5ccccc45)c3C2)n1
InChIInChI=1S/C22H16N4O/c23-13-16-7-4-10-21(24-16)26-12-11-20-19(14-26)22(25-27-20)18-9-3-6-15-5-1-2-8-17(15)18/h1-10H,11-12,14H2
InChIKeyCLUQOALCWPHRDW-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.32
Rot. Bonds2

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

6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile (PubChem CID 56745627) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile
PubChem CID56745627
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCc3onc(-c4cccc5ccccc45)c3C2)n1
InChIInChI=1S/C22H16N4O/c23-13-16-7-4-10-21(24-16)26-12-11-20-19(14-26)22(25-27-20)18-9-3-6-15-5-1-2-8-17(15)18/h1-10H,11-12,14H2
InChIKeyCLUQOALCWPHRDW-UHFFFAOYSA-N
XLogP4.32
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile (CID 56745627) is 6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile is N#Cc1cccc(N2CCc3onc(-c4cccc5ccccc45)c3C2)n1.
What is the InChIKey of 6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile?
The InChIKey is CLUQOALCWPHRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c23-13-16-7-4-10-21(24-16)26-12-11-20-19(14-26)22(25-27-20)18-9-3-6-15-5-1-2-8-17(15)18/h1-10H,11-12,14H2.
What are the key properties of 6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile?
6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile has a molecular weight of 352.40 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 56745627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).