Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
3-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol
HCID
19956121
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
Cc1nc(-c2ccc(NCC(O)CO)cc2)no1
InChIKey
ZYTVFJKXSUVILU-UHFFFAOYSA-N
Molecular formula
C12H15N3O3
Average molar mass
249.27 g/mol
Names & identifiers
Preferred name
3-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol
IUPAC
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol
Names & synonyms
SCHEMBL7302507
Database identifiers
PubChem CID
19956121
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
91.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
247
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
196101
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
Loading…