CC(C#N)C1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)OC
Nombre: 2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]propanenitrile
SMILES: CC(C#N)C1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)OC

Molecular Processing

Molecular formula
C17H14N2O2
Molecular weight
278.31
Exact mass
278.1055
XLogP
4.13
TPSA
59.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
80.03

Supplementary Information

InChIKey: TUHYSHTVCHTILD-UHFFFAOYSA-N
Sinónimos
SCHEMBL5832263TUHYSHTVCHTILD-UHFFFAOYSA-N2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]propanenitrile
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