Molecule ID: 2733

IUPAC Name: 5-chloro-3H-1,3-benzoxazol-2-one

Description: The molecule is a member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm. It has a role as a muscle relaxant and a sedative. It is a member of 1,3-benzoxazoles, an organochlorine compound and a heteroaryl hydroxy compound.

SMILES: Oc1nc2cc(Cl)ccc2o1

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

InChI: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 1.8