3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]

C18H24N2O — CID 90927053

IUPAC3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
SMILESCc1cc(C)c(C2=CC3(CN4CCC3CC4)ON2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-12-8-13(2)17(14(3)9-12)16-10-18(21-19-16)11-20-6-4-15(18)5-7-20/h8-10,15,19H,4-7,11H2,1-3H3
InChIKeyHCEVTAPIDLSOJM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.95
Rot. Bonds1

About 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]

3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] (PubChem CID 90927053) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole].

Molecular Properties

Compound Name3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
PubChem CID90927053
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
SMILESCc1cc(C)c(C2=CC3(CN4CCC3CC4)ON2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-12-8-13(2)17(14(3)9-12)16-10-18(21-19-16)11-20-6-4-15(18)5-7-20/h8-10,15,19H,4-7,11H2,1-3H3
InChIKeyHCEVTAPIDLSOJM-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
The IUPAC name of 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] (CID 90927053) is 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole].
What is the SMILES notation for 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
The canonical SMILES for 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] is Cc1cc(C)c(C2=CC3(CN4CCC3CC4)ON2)c(C)c1.
What is the InChIKey of 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
The InChIKey is HCEVTAPIDLSOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-8-13(2)17(14(3)9-12)16-10-18(21-19-16)11-20-6-4-15(18)5-7-20/h8-10,15,19H,4-7,11H2,1-3H3.
What are the key properties of 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] has a molecular weight of 284.40 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] is sourced from PubChem (CID 90927053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).