1-({5-[(3-Chloro-4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}methyl)azetidine-3-carboxylic acid

HCID 11978281
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)nc3)no2)cc1Cl
InChIKey
ZSPPERVMZWWHJO-UHFFFAOYSA-N
Molecular formula
C22H23ClN4O3
Average molar mass
426.9 g/mol
Monoisotopic mass
426.1458683

Names & identifiers

Preferred name
1-({5-[(3-Chloro-4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}methyl)azetidine-3-carboxylic acid
IUPAC
1-[[5-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidine-3-carboxylic acid

Names & synonyms

SCHEMBL3128427ZSPPERVMZWWHJO-UHFFFAOYSA-N1-({5-[(3-Chloro-4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}methyl)azetidine-3-carboxylic acid

Database identifiers

PubChem CID
11978281

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
92.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

Loading…