9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one

C11H13N3O3 — CID 127406584

IUPAC9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1CC2CCC(CN1)N2C(=O)c1ccon1
InChIInChI=1S/C11H13N3O3/c15-10-5-7-1-2-8(6-12-10)14(7)11(16)9-3-4-17-13-9/h3-4,7-8H,1-2,5-6H2,(H,12,15)
InChIKeyDROISPBRTMONNG-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.17
Rot. Bonds1

About 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one

9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 127406584) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID127406584
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1CC2CCC(CN1)N2C(=O)c1ccon1
InChIInChI=1S/C11H13N3O3/c15-10-5-7-1-2-8(6-12-10)14(7)11(16)9-3-4-17-13-9/h3-4,7-8H,1-2,5-6H2,(H,12,15)
InChIKeyDROISPBRTMONNG-UHFFFAOYSA-N
XLogP0.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 127406584) is 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one is O=C1CC2CCC(CN1)N2C(=O)c1ccon1.
What is the InChIKey of 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is DROISPBRTMONNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10-5-7-1-2-8(6-12-10)14(7)11(16)9-3-4-17-13-9/h3-4,7-8H,1-2,5-6H2,(H,12,15).
What are the key properties of 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one?
9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 235.24 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,2-oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 127406584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).