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

C11H13Cl2N3O — CID 121320404

IUPAC(3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
SMILESClc1nc2n(c1Cl)C[C@]1(CN3CCC1CC3)O2
InChIInChI=1S/C11H13Cl2N3O/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-/m0/s1
InChIKeyJSOTVUQOLMNLLO-NSHDSACASA-N
MW274.15 g/mol
LogP2.05
Rot. Bonds

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

(3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] (PubChem CID 121320404) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is (3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole].

Molecular Properties

Compound Name(3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
PubChem CID121320404
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name(3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
SMILESClc1nc2n(c1Cl)C[C@]1(CN3CCC1CC3)O2
InChIInChI=1S/C11H13Cl2N3O/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-/m0/s1
InChIKeyJSOTVUQOLMNLLO-NSHDSACASA-N
XLogP2.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-5',6'-dichlorospiro[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 (3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
The IUPAC name of (3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] (CID 121320404) is (3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole].
What is the SMILES notation for (3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
The canonical SMILES for (3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] is Clc1nc2n(c1Cl)C[C@]1(CN3CCC1CC3)O2.
What is the InChIKey of (3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
The InChIKey is JSOTVUQOLMNLLO-NSHDSACASA-N. The full InChI is InChI=1S/C11H13Cl2N3O/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-/m0/s1.
What are the key properties of (3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]?
(3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] has a molecular weight of 274.15 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole] is sourced from PubChem (CID 121320404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).