5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole

C19H19N3O — CID 14810882

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
SMILESc1ccc2cc(-c3noc(C4CN5CCC4CC5)n3)ccc2c1
InChIInChI=1S/C19H19N3O/c1-2-4-15-11-16(6-5-13(15)3-1)18-20-19(23-21-18)17-12-22-9-7-14(17)8-10-22/h1-6,11,14,17H,7-10,12H2
InChIKeyFGHRIQKCMVNGAF-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.70
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole (PubChem CID 14810882) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
PubChem CID14810882
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
SMILESc1ccc2cc(-c3noc(C4CN5CCC4CC5)n3)ccc2c1
InChIInChI=1S/C19H19N3O/c1-2-4-15-11-16(6-5-13(15)3-1)18-20-19(23-21-18)17-12-22-9-7-14(17)8-10-22/h1-6,11,14,17H,7-10,12H2
InChIKeyFGHRIQKCMVNGAF-UHFFFAOYSA-N
XLogP3.70
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
CID 83191804
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
tert-butyl (3S)-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618481
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 70384934
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 62716244
5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 19886304
(3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane
CID 68809563
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 3466347
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole
CID 164773960
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]formamide;hydrochloride
CID 88506378
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 42765232
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 4241669

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole (CID 14810882) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole is c1ccc2cc(-c3noc(C4CN5CCC4CC5)n3)ccc2c1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole?
The InChIKey is FGHRIQKCMVNGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-4-15-11-16(6-5-13(15)3-1)18-20-19(23-21-18)17-12-22-9-7-14(17)8-10-22/h1-6,11,14,17H,7-10,12H2.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 14810882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).