(3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]

C15H16ClN3O — CID 121320378

IUPAC(3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
SMILESClc1cccc2nc3n(c12)C[C@@]1(CN2CCC1CC2)O3
InChIInChI=1S/C15H16ClN3O/c16-11-2-1-3-12-13(11)19-9-15(20-14(19)17-12)8-18-6-4-10(15)5-7-18/h1-3,10H,4-9H2/t15-/m1/s1
InChIKeyYGWLMJHGCHZIHA-OAHLLOKOSA-N
MW289.77 g/mol
LogP2.55
Rot. Bonds

About (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]

(3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] (PubChem CID 121320378) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole].

Molecular Properties

Compound Name(3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
PubChem CID121320378
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
SMILESClc1cccc2nc3n(c12)C[C@@]1(CN2CCC1CC2)O3
InChIInChI=1S/C15H16ClN3O/c16-11-2-1-3-12-13(11)19-9-15(20-14(19)17-12)8-18-6-4-10(15)5-7-18/h1-3,10H,4-9H2/t15-/m1/s1
InChIKeyYGWLMJHGCHZIHA-OAHLLOKOSA-N
XLogP2.55
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]?
The IUPAC name of (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] (CID 121320378) is (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole].
What is the SMILES notation for (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]?
The canonical SMILES for (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] is Clc1cccc2nc3n(c12)C[C@@]1(CN2CCC1CC2)O3.
What is the InChIKey of (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]?
The InChIKey is YGWLMJHGCHZIHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-11-2-1-3-12-13(11)19-9-15(20-14(19)17-12)8-18-6-4-10(15)5-7-18/h1-3,10H,4-9H2/t15-/m1/s1.
What are the key properties of (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]?
(3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] has a molecular weight of 289.77 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] is sourced from PubChem (CID 121320378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).