HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

N-[3-(Acetylaminomethyl)phenyl]-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide

HCID 10138142
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)NCc1cccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)c1
InChIKey
YKACQMKSNALSFX-UHFFFAOYSA-N
Molecular formula
C26H24N4O3
Average molar mass
440.5 g/mol

Names & identifiers

Preferred name
N-[3-(Acetylaminomethyl)phenyl]-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide
IUPAC
N-[3-(acetamidomethyl)phenyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

Names & synonyms

SCHEMBL4856672YKACQMKSNALSFX-UHFFFAOYSA-NN-[3-(Acetylaminomethyl)phenyl]-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide

Database identifiers

PubChem CID
10138142

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
97.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Formal charge
0
Complexity
666

Related reactions

2 records
New reaction record
HRID 131671 reaction equation
HRID 131671As productuspto-grants-2008_06
HRID 810746 reaction equation
HRID 810746As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes