6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]

C12H16BrN3O — CID 121320386

IUPAC6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
SMILESCc1c(Br)nc2n1CC1(CN3CCC1CC3)O2
InChIInChI=1S/C12H16BrN3O/c1-8-10(13)14-11-16(8)7-12(17-11)6-15-4-2-9(12)3-5-15/h9H,2-7H2,1H3
InChIKeyUYZJOJFEGDFCDC-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.81
Rot. Bonds

About 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]

6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] (PubChem CID 121320386) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole].

Molecular Properties

Compound Name6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
PubChem CID121320386
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
SMILESCc1c(Br)nc2n1CC1(CN3CCC1CC3)O2
InChIInChI=1S/C12H16BrN3O/c1-8-10(13)14-11-16(8)7-12(17-11)6-15-4-2-9(12)3-5-15/h9H,2-7H2,1H3
InChIKeyUYZJOJFEGDFCDC-UHFFFAOYSA-N
XLogP1.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
The IUPAC name of 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] (CID 121320386) is 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole].
What is the SMILES notation for 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
The canonical SMILES for 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] is Cc1c(Br)nc2n1CC1(CN3CCC1CC3)O2.
What is the InChIKey of 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
The InChIKey is UYZJOJFEGDFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8-10(13)14-11-16(8)7-12(17-11)6-15-4-2-9(12)3-5-15/h9H,2-7H2,1H3.
What are the key properties of 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] has a molecular weight of 298.18 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromo-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] is sourced from PubChem (CID 121320386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).