CC1=C(C2=C(C(=C1C3=CC=CC=C3)F)OC(=N2)Cl)C#N
Name: 2-chloro-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES: CC1=C(C2=C(C(=C1C3=CC=CC=C3)F)OC(=N2)Cl)C#N

Molecular Processing

Molecular formula
C15H8ClFN2O
Molecular weight
286.69
Exact mass
286.0309
XLogP
4.47
TPSA
49.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
73.87

Supplementary Information

InChIKey: NOTVHFDFZKZESA-UHFFFAOYSA-N
Synonyme
SCHEMBL3294248NOTVHFDFZKZESA-UHFFFAOYSA-N2-Chloro-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile2-chloro-7-fluoro-5-methyl-6-phenylbenzoxazole-4-carbonitrile2-Chloro-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-cabonitrile
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