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2-p-Tolylbenzo[d]oxazole-4-carboxamide (HCID 66620652)|Huagongshe
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Compound
2-p-Tolylbenzo[d]oxazole-4-carboxamide
HCID
66620652
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1ccc(-c2nc3c(C(N)=O)cccc3o2)cc1
InChIKey
KVUZPTJZHBJSPP-UHFFFAOYSA-N
Molecular formula
C15H12N2O2
Average molar mass
252.27 g/mol
Names & identifiers
Preferred name
2-p-Tolylbenzo[d]oxazole-4-carboxamide
IUPAC
2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide
Names & synonyms
SCHEMBL204524
KVUZPTJZHBJSPP-UHFFFAOYSA-N
2-p-tolylbenzo[d]oxazole-4-carboxamide
Database identifiers
PubChem CID
66620652
Properties
Computed structural properties
XLogP
2.7
Topological polar surface area
69.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
339
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
96469
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
415134
As product
uspto-grants-2012_01
HRID
415171
As product
uspto-grants-2012_01
HRID
829178
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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