Molecule ID: 131801214

IUPAC Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(2-oxa-6-azoniaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]methanone

Description: The molecule is an ammonium ion resulting from the protonation of the tertiary amino group of AZD1979. A melanin concentrating hormone receptor 1 (MCHr1) antagonist. It has a role as a melanin-concentrating hormone receptor antagonist. It is a conjugate acid of an AZD1979.

SMILES: COc1ccc(-c2[nH+]nc(C(=O)N3CC(Oc4ccc(CN5CC6(COC6)C5)cc4)C3)o2)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=NH1+1][N][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch2][O][C][=C][C][=C][Branch1][#C][C][N][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S]

InChI: InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3/p+1

Molecular Properties:
- Polar Surface Area: 91.4 Ų
- LogP: 2.0