CCOC(=O)C1=NC2=C(O1)C(=C(C(=C2C#N)C)C3=CC=CC=C3)F
Name: ethyl 4-cyano-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-2-carboxylate
SMILES: CCOC(=O)C1=NC2=C(O1)C(=C(C(=C2C#N)C)C3=CC=CC=C3)F

Molecular Processing

Molecular formula
C18H13FN2O3
Molecular weight
324.31
Exact mass
324.091
XLogP
3.99
TPSA
76.12
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
84.81

Supplementary Information

InChIKey: VBZIKPKYCBZNDN-UHFFFAOYSA-N
Synonyme
SCHEMBL3295021VBZIKPKYCBZNDN-UHFFFAOYSA-Nethyl 4-cyano-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-2-carboxylateEthyl-4-cyan-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-2-carboxylateEthyl-4-cyano-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-2-carboxylate
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