(3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]

C11H13Br2N3O — CID 121327773

IUPAC(3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
SMILESBrc1nc2n(c1Br)C[C@@]1(CN3CCC1CC3)O2
InChIInChI=1S/C11H13Br2N3O/c12-8-9(13)16-6-11(17-10(16)14-8)5-15-3-1-7(11)2-4-15/h7H,1-6H2/t11-/m1/s1
InChIKeyMQBBQJBNXQVSMC-LLVKDONJSA-N
MW363.05 g/mol
LogP2.26
Rot. Bonds

About (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]

(3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] (PubChem CID 121327773) has the molecular formula C11H13Br2N3O and a molecular weight of 363.05 g/mol. Its IUPAC name is (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole].

Molecular Properties

Compound Name(3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
PubChem CID121327773
Molecular FormulaC11H13Br2N3O
Molecular Weight363.05 g/mol
Exact Mass360.94
IUPAC Name(3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
SMILESBrc1nc2n(c1Br)C[C@@]1(CN3CCC1CC3)O2
InChIInChI=1S/C11H13Br2N3O/c12-8-9(13)16-6-11(17-10(16)14-8)5-15-3-1-7(11)2-4-15/h7H,1-6H2/t11-/m1/s1
InChIKeyMQBBQJBNXQVSMC-LLVKDONJSA-N
XLogP2.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
The IUPAC name of (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] (CID 121327773) is (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole].
What is the SMILES notation for (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
The canonical SMILES for (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] is Brc1nc2n(c1Br)C[C@@]1(CN3CCC1CC3)O2.
What is the InChIKey of (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
The InChIKey is MQBBQJBNXQVSMC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13Br2N3O/c12-8-9(13)16-6-11(17-10(16)14-8)5-15-3-1-7(11)2-4-15/h7H,1-6H2/t11-/m1/s1.
What are the key properties of (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
(3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] has a molecular weight of 363.05 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5',6'-dibromospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] is sourced from PubChem (CID 121327773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).