Name: 3-(N-benzyl-N-methylamino)methyl-5-cyanomethyl-1,2,4-oxadiazole
SMILES:
CN(Cc1ccccc1)Cc1noc(CC#N)n1Molecular Processing
Molecular formula
C13H14N4O
Molecular weight
242.28
Exact mass
242.1168
XLogP
1.77
TPSA
65.95
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
65.23
Supplementary Information
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