3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one

C11H17N3O2 — CID 19987366

IUPAC3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one
SMILESCCn1c(CC2CN3CCC2C3)noc1=O
InChIInChI=1S/C11H17N3O2/c1-2-14-10(12-16-11(14)15)5-9-7-13-4-3-8(9)6-13/h8-9H,2-7H2,1H3
InChIKeyNQFSGHLOJNCJGD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.35
Rot. Bonds3

About 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one

3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one (PubChem CID 19987366) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one
PubChem CID19987366
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one
SMILESCCn1c(CC2CN3CCC2C3)noc1=O
InChIInChI=1S/C11H17N3O2/c1-2-14-10(12-16-11(14)15)5-9-7-13-4-3-8(9)6-13/h8-9H,2-7H2,1H3
InChIKeyNQFSGHLOJNCJGD-UHFFFAOYSA-N
XLogP0.35
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one (CID 19987366) is 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one is CCn1c(CC2CN3CCC2C3)noc1=O.
What is the InChIKey of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one?
The InChIKey is NQFSGHLOJNCJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-10(12-16-11(14)15)5-9-7-13-4-3-8(9)6-13/h8-9H,2-7H2,1H3.
What are the key properties of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one?
3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one has a molecular weight of 223.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-ethyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 19987366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).