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

Methyl 2-ethoxy-3-[2-ethyl-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]propanoate

HCID 69282279
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(Cc1ccc(OCc2nc(-c3ccccc3F)oc2C)cc1CC)C(=O)OC
InChIKey
NMKPGURKSFRYKM-UHFFFAOYSA-N
Molecular formula
C25H28FNO5
Average molar mass
441.5 g/mol

Names & identifiers

Preferred name
Methyl 2-ethoxy-3-[2-ethyl-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]propanoate
IUPAC
methyl 2-ethoxy-3-[2-ethyl-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]propanoate

Names & synonyms

SCHEMBL5022339

Database identifiers

PubChem CID
69282279

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
70.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
32
Formal charge
0
Complexity
579

Related reactions

2 records
New reaction record
HRID 306379 reaction equation
HRID 306379As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1149855 reaction equation
HRID 1149855As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes