3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone

C11H15N3O2 — CID 24945383

IUPAC3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CC2CNCC(C2)C1
InChIInChI=1S/C11H15N3O2/c15-11(10-4-13-7-16-10)14-5-8-1-9(6-14)3-12-2-8/h4,7-9,12H,1-3,5-6H2
InChIKeyHVYPEWIFRMKLAK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.36
Rot. Bonds1

About 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone

3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone (PubChem CID 24945383) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone
PubChem CID24945383
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CC2CNCC(C2)C1
InChIInChI=1S/C11H15N3O2/c15-11(10-4-13-7-16-10)14-5-8-1-9(6-14)3-12-2-8/h4,7-9,12H,1-3,5-6H2
InChIKeyHVYPEWIFRMKLAK-UHFFFAOYSA-N
XLogP0.36
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone?
The IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone (CID 24945383) is 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone?
The canonical SMILES for 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CC2CNCC(C2)C1.
What is the InChIKey of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone?
The InChIKey is HVYPEWIFRMKLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(10-4-13-7-16-10)14-5-8-1-9(6-14)3-12-2-8/h4,7-9,12H,1-3,5-6H2.
What are the key properties of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone?
3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 24945383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).