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

4-Benzyl-3-[2-(5-hydroxy-4'-trifluoromethyl-biphenyl-3-yl)-4-methyl-pentanoyl]-oxazolidin-2-one

HCID 66698262
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CC(C(=O)N1C(=O)OCC1Cc1ccccc1)c1cc(O)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIKey
NJGUJLXCWBKJCM-UHFFFAOYSA-N
Molecular formula
C29H28F3NO4
Average molar mass
511.5 g/mol

Names & identifiers

Preferred name
4-Benzyl-3-[2-(5-hydroxy-4'-trifluoromethyl-biphenyl-3-yl)-4-methyl-pentanoyl]-oxazolidin-2-one
IUPAC
4-benzyl-3-[2-[3-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one

Names & synonyms

4-benzyl-3-[2-(5-hydroxy-4'-trifluoromethyl-biphenyl-3-yl)-4-methyl-pentanoyl]-oxazolidin-2-oneSCHEMBL477989

Database identifiers

PubChem CID
66698262

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
66.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
37
Formal charge
0
Complexity
774

Related reactions

9 records
New reaction record
HRID 226551 reaction equation
HRID 226551As productuspto-grants-2009_07
HRID 317958 reaction equation
HRID 317958As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 426361 reaction equation
HRID 426361As productuspto-grants-2012_01
HRID 599125 reaction equation
HRID 599125As productuspto-grants-2011_03
HRID 599126 reaction equation
HRID 599126As reactantuspto-grants-2011_03
HRID 599128 reaction equation
HRID 599128As reactantuspto-grants-2011_03
HRID 599130 reaction equation
HRID 599130As reactantuspto-grants-2011_03
HRID 889708 reaction equation
HRID 889708As productuspto-grants-2012_08
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes