Molecule ID: 131801215

IUPAC Name: [3-[4-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone

Description: The molecule is a diol resulting from hydrolysis of the oxetane ring of AZD1979. It is a diol, a N-acylazetidine, an aromatic ether, an oxadiazole and a tertiary carboxamide. It derives from an AZD1979.

SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC(CO)(CO)C5)cc4)C3)o2)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][=N][N][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][O][C][=C][C][=C][Branch1][S][C][N][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][Ring1][Branch2][C][=C][Ring1][#C][C][Ring2][Ring1][Ring2][O][Ring2][Ring1][O][C][=C][Ring2][Ring1][P]

InChI: InChI=1S/C25H28N4O6/c1-33-19-8-4-18(5-9-19)22-26-27-23(35-22)24(32)29-11-21(12-29)34-20-6-2-17(3-7-20)10-28-13-25(14-28,15-30)16-31/h2-9,21,30-31H,10-16H2,1H3

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 1.0