Name: ethyl 5-(2-methylbenzyl)-1,2,4-oxadiazole-3-carboxylate
SMILES:
CCOC(=O)c1noc(Cc2ccccc2C)n1Molecular Processing
Molecular formula
C13H14N2O3
Molecular weight
246.27
Exact mass
246.1004
XLogP
2.15
TPSA
65.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
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
64.24
Supplementary Information
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