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

2-Methyl-3-(4-{2-[5-methyl-2-(3-thiophen-3-ylphenyl)oxazol-4-yl]ethoxy}phenyl)-2-phenoxypropionic acid

HCID 10230581
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1oc(-c2cccc(-c3ccsc3)c2)nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)O)cc1
InChIKey
RIXXENNLVMJOJD-UHFFFAOYSA-N
Molecular formula
C32H29NO5S
Average molar mass
539.6 g/mol

Names & identifiers

Preferred name
2-Methyl-3-(4-{2-[5-methyl-2-(3-thiophen-3-ylphenyl)oxazol-4-yl]ethoxy}phenyl)-2-phenoxypropionic acid
IUPAC
2-methyl-3-[4-[2-[5-methyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]-2-phenoxypropanoic acid

Names & synonyms

SCHEMBL5207042RIXXENNLVMJOJD-UHFFFAOYSA-N2-Methyl-3-(4-{2-[5-methyl-2-(3-thiophen-3-ylphenyl)oxazol-4-yl]ethoxy}phenyl)-2-phenoxypropionic acid

Database identifiers

PubChem CID
10230581

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
39
Formal charge
0
Complexity
770

Related reactions

2 records
New reaction record
HRID 162111 reaction equation
HRID 162111As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 348284 reaction equation
HRID 348284As productuspto-grants-2007_02

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes