3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone

C10H14N4O2 — CID 24945461

IUPAC3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1ncon1)N1CC2CNCC(C2)C1
InChIInChI=1S/C10H14N4O2/c15-10(9-12-6-16-13-9)14-4-7-1-8(5-14)3-11-2-7/h6-8,11H,1-5H2
InChIKeyKYLIVTKHRHWCMA-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.25
Rot. Bonds1

About 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone

3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone (PubChem CID 24945461) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone
PubChem CID24945461
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1ncon1)N1CC2CNCC(C2)C1
InChIInChI=1S/C10H14N4O2/c15-10(9-12-6-16-13-9)14-4-7-1-8(5-14)3-11-2-7/h6-8,11H,1-5H2
InChIKeyKYLIVTKHRHWCMA-UHFFFAOYSA-N
XLogP-0.25
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone (CID 24945461) is 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone is O=C(c1ncon1)N1CC2CNCC(C2)C1.
What is the InChIKey of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is KYLIVTKHRHWCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-10(9-12-6-16-13-9)14-4-7-1-8(5-14)3-11-2-7/h6-8,11H,1-5H2.
What are the key properties of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone?
3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 222.25 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 24945461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).