Name: 2-cyclopropyl-6-(dimethylamino)-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile
SMILES:
Cc1c(N(C)C)c(F)c2oc(C3CC3)nc2c1C#NMolecular Processing
Molecular formula
C14H14FN3O
Molecular weight
259.28
Exact mass
259.1121
XLogP
3.09
TPSA
53.06
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
69.72
Supplementary Information
InChIKey: OBYUPQFIYWGPQQ-UHFFFAOYSA-N
Synonyme
SCHEMBL3292401OBYUPQFIYWGPQQ-UHFFFAOYSA-N6-Dimethylamino-2-cyclopropyl-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile
An 3 Reaktionen beteiligt→