CC1=C(C2=C(C(=C1C3=CC=CC=C3)Br)OC(=N2)C(C)(C)C)C#N
Name: 7-bromo-2-tert-butyl-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES: CC1=C(C2=C(C(=C1C3=CC=CC=C3)Br)OC(=N2)C(C)(C)C)C#N

Molecular Processing

Molecular formula
C19H17BrN2O
Molecular weight
369.26
Exact mass
368.0524
XLogP
5.73
TPSA
49.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
95.3

Supplementary Information

InChIKey: BPIMWCVFIMGJHY-UHFFFAOYSA-N
Synonyme
SCHEMBL3295231BPIMWCVFIMGJHY-UHFFFAOYSA-N7-bromo-2-tert-butyl-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
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