Name: methyl 2-[2-(2,2-dimethylpropyl)benzoxazol-5-yl]-2-fluoropropionate
SMILES:
COC(=O)C(C)(F)c1ccc2oc(CC(C)(C)C)nc2c1Molecular Processing
Molecular formula
C16H20FNO3
Molecular weight
293.34
Exact mass
293.1427
XLogP
3.77
TPSA
52.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.64
Supplementary Information
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