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Methyl 2-(3,5-dimethylmorpholin-4-yl)-1,3-benzoxazole-4-carboxylate (HCID 77199864)|Huagongshe
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Compound
Methyl 2-(3,5-dimethylmorpholin-4-yl)-1,3-benzoxazole-4-carboxylate
HCID
77199864
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
COC(=O)c1cccc2oc(N3C(C)COCC3C)nc12
InChIKey
YXYQJFCJLDWRHR-UHFFFAOYSA-N
Molecular formula
C15H18N2O4
Average molar mass
290.31 g/mol
Names & identifiers
Preferred name
Methyl 2-(3,5-dimethylmorpholin-4-yl)-1,3-benzoxazole-4-carboxylate
IUPAC
methyl 2-(3,5-dimethylmorpholin-4-yl)-1,3-benzoxazole-4-carboxylate
Database identifiers
PubChem CID
77199864
Properties
Computed structural properties
XLogP
2.6
Topological polar surface area
64.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
382
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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
288347
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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