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3-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol

HCID 19956121
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Substructure searchFind 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

Related reactions

1 records
New reaction record
HRID 196101 reaction equation
HRID 196101As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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