Molecule ID: 5353454

IUPAC Name: 1-[(E)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea

Description: The molecule is a hydroxamic acid that is urea in which both the hydrogens attached to one of the nitrogens are replaced by a hydroxy and a (1E)-1-[3-(4-fluorophenoxy)phenyl]but-1-en-3-yl group. A selective inhibitor of arachidonate 5-lipoxygenase, it can be used for the treatment of asthma. It has a role as an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is an organofluorine compound, a member of ureas, a hydroxamic acid and an aromatic ether.

SMILES: CC(/C=C/c1cccc(Oc2ccc(F)cc2)c1)N(O)C(=N)O

SELFIES: [C][C][Branch2][Ring1][=Branch2][/C][=C][/C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=C][N][Branch1][C][O][C][=Branch1][C][=N][O]

InChI: InChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5+

Molecular Properties:
- Polar Surface Area: 75.8 Ų
- LogP: 2.8