9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one

C13H19N3O2 — CID 106421134

IUPAC9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCc1nc(CCN2C3CCCC2CC(=O)C3)no1
InChIInChI=1S/C13H19N3O2/c1-9-14-13(15-18-9)5-6-16-10-3-2-4-11(16)8-12(17)7-10/h10-11H,2-8H2,1H3
InChIKeyNCNDHUBZNZNBDQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.51
Rot. Bonds3

About 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one

9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 106421134) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID106421134
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCc1nc(CCN2C3CCCC2CC(=O)C3)no1
InChIInChI=1S/C13H19N3O2/c1-9-14-13(15-18-9)5-6-16-10-3-2-4-11(16)8-12(17)7-10/h10-11H,2-8H2,1H3
InChIKeyNCNDHUBZNZNBDQ-UHFFFAOYSA-N
XLogP1.51
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one with MolForge

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Related Compounds

3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106418197
3-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106421935
3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
CID 114186711
9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712336
2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
CID 106418175
9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62714644
9-[2-(1-methylpiperidin-4-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 114516711
8-[2-(dimethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62740118
9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713752
9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 106008376
9-(7-methyloctyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114004422
3-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106421910

Frequently Asked Questions

What is the IUPAC name of 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 106421134) is 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one is Cc1nc(CCN2C3CCCC2CC(=O)C3)no1.
What is the InChIKey of 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is NCNDHUBZNZNBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-14-13(15-18-9)5-6-16-10-3-2-4-11(16)8-12(17)7-10/h10-11H,2-8H2,1H3.
What are the key properties of 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 106421134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).