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

C11H15N3O2 — CID 24945384

IUPAC3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CC2CNCC(C2)C1
InChIInChI=1S/C11H15N3O2/c15-11(10-1-2-16-13-10)14-6-8-3-9(7-14)5-12-4-8/h1-2,8-9,12H,3-7H2
InChIKeyKKMPKOQLJDEKSP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.36
Rot. Bonds1

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

3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone (PubChem CID 24945384) 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(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone
PubChem CID24945384
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CC2CNCC(C2)C1
InChIInChI=1S/C11H15N3O2/c15-11(10-1-2-16-13-10)14-6-8-3-9(7-14)5-12-4-8/h1-2,8-9,12H,3-7H2
InChIKeyKKMPKOQLJDEKSP-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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Related Compounds

2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-(3-isoxazolylmethyl)-N-methylacetamide
CID 16192260
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone
CID 24945127
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 59268944
N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71985669
N-[rel-(3R,4S)-4-cyclopropyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-3-isoxazolecarboxamide hydrochloride
CID 72909766
(4aS*,8aR*)-6-(isoxazol-3-ylcarbonyl)-1-(piperidin-4-ylmethyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56882290
3-(Piperidinocarbonyl)isoxazole
CID 61565011
1-(1,2-oxazol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988714
N-[1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]isoxazole-3-carboxamide
CID 74236378
9-(1,2-Oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 127406584
(4-Methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 136520423
N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]-1,2-oxazole-3-carboxamide
CID 137993278

Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone?
The IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone (CID 24945384) is 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone?
The canonical SMILES for 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CC2CNCC(C2)C1.
What is the InChIKey of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone?
The InChIKey is KKMPKOQLJDEKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(10-1-2-16-13-10)14-6-8-3-9(7-14)5-12-4-8/h1-2,8-9,12H,3-7H2.
What are the key properties of 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone?
3,7-diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-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(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 24945384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).