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3-(4-Amino-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazol-2-one (HCID 21883870)|Huagongshe
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Compound
3-(4-Amino-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazol-2-one
HCID
21883870
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Basic information
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Properties
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Basic information
Standard SMILES
COc1nn(-c2ccc(N)c(OC)c2)c(=O)o1
InChIKey
CWGGESSJWYSZMB-UHFFFAOYSA-N
Molecular formula
C10H11N3O4
Average molar mass
237.21 g/mol
Names & identifiers
Preferred name
3-(4-Amino-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazol-2-one
IUPAC
3-(4-amino-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL4404667
Database identifiers
PubChem CID
21883870
Properties
Computed structural properties
XLogP
1.2
Topological polar surface area
86.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
334
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Related reactions
1 records
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HRID
157700
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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