(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]

C15H17N3O — CID 121320376

IUPAC(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
SMILESc1ccc2c(c1)nc1n2C[C@]2(CN3CCC2CC3)O1
InChIInChI=1S/C15H17N3O/c1-2-4-13-12(3-1)16-14-18(13)10-15(19-14)9-17-7-5-11(15)6-8-17/h1-4,11H,5-10H2/t15-/m0/s1
InChIKeySVWIWEJABCYSCI-HNNXBMFYSA-N
MW255.32 g/mol
LogP1.89
Rot. Bonds

About (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]

(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] (PubChem CID 121320376) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole].

Molecular Properties

Compound Name(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
PubChem CID121320376
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
SMILESc1ccc2c(c1)nc1n2C[C@]2(CN3CCC2CC3)O1
InChIInChI=1S/C15H17N3O/c1-2-4-13-12(3-1)16-14-18(13)10-15(19-14)9-17-7-5-11(15)6-8-17/h1-4,11H,5-10H2/t15-/m0/s1
InChIKeySVWIWEJABCYSCI-HNNXBMFYSA-N
XLogP1.89
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]?
The IUPAC name of (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] (CID 121320376) is (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole].
What is the SMILES notation for (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]?
The canonical SMILES for (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] is c1ccc2c(c1)nc1n2C[C@]2(CN3CCC2CC3)O1.
What is the InChIKey of (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]?
The InChIKey is SVWIWEJABCYSCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-4-13-12(3-1)16-14-18(13)10-15(19-14)9-17-7-5-11(15)6-8-17/h1-4,11H,5-10H2/t15-/m0/s1.
What are the key properties of (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]?
(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] has a molecular weight of 255.32 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole] is sourced from PubChem (CID 121320376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).