(3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

C11H14BrN3O2 — CID 24945459

IUPAC(3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cc(Br)no1)N1CC2CNCC(C2)C1
InChIInChI=1S/C11H14BrN3O2/c12-10-2-9(17-14-10)11(16)15-5-7-1-8(6-15)4-13-3-7/h2,7-8,13H,1,3-6H2
InChIKeyZJOMXSOGGLLQHD-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.12
Rot. Bonds1

About (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

(3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 24945459) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID24945459
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cc(Br)no1)N1CC2CNCC(C2)C1
InChIInChI=1S/C11H14BrN3O2/c12-10-2-9(17-14-10)11(16)15-5-7-1-8(6-15)4-13-3-7/h2,7-8,13H,1,3-6H2
InChIKeyZJOMXSOGGLLQHD-UHFFFAOYSA-N
XLogP1.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone (CID 24945459) is (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1cc(Br)no1)N1CC2CNCC(C2)C1.
What is the InChIKey of (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is ZJOMXSOGGLLQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-10-2-9(17-14-10)11(16)15-5-7-1-8(6-15)4-13-3-7/h2,7-8,13H,1,3-6H2.
What are the key properties of (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone?
(3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 300.16 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1,2-oxazol-5-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 24945459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).