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N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-benzoxazole-4-carboxamide (HCID 24944768)|Huagongshe
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Compound
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-benzoxazole-4-carboxamide
HCID
24944768
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
Cc1nc2c(C(=O)NC3CN4CCC3CC4)cccc2o1
InChIKey
TYWZVOJGKMHLGS-UHFFFAOYSA-N
Molecular formula
C16H19N3O2
Average molar mass
285.34 g/mol
Names & identifiers
Preferred name
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-benzoxazole-4-carboxamide
IUPAC
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-benzoxazole-4-carboxamide
Names & synonyms
SCHEMBL4304407
Database identifiers
PubChem CID
24944768
Properties
Computed structural properties
XLogP
2.1
Topological polar surface area
58.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
408
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Related reactions
1 records
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As reactant
As product
As reagent
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As solvent
HRID
93837
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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