5-acetonyl-3-(N-benzyl-N-methylamino)methyl-1,2,4-oxadiazole

HCID 20161256
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Basic information

Standard SMILES
CC(=O)Cc1nc(CN(C)Cc2ccccc2)no1
InChIKey
PUVCMUZGVAZWPA-UHFFFAOYSA-N
Molecular formula
C14H17N3O2
Average molar mass
259.3 g/mol
Monoisotopic mass
259.13207679

Names & identifiers

Preferred name
5-acetonyl-3-(N-benzyl-N-methylamino)methyl-1,2,4-oxadiazole
IUPAC
1-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]propan-2-one

Names & synonyms

SCHEMBL7315036PUVCMUZGVAZWPA-UHFFFAOYSA-N5-acetonyl-3-(N-benzyl-N-methylamino)methyl-1,2,4-oxadiazole

Database identifiers

PubChem CID
20161256

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
59.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19

Related reactions

4 records
New reaction record

Compound notes

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