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n-(4-Oxazol-5-yl-phenyl)-2-oxo-3-[1-(2-trifluoromethyl-phenyl)-cyclobutyl]-propionamide

HCID 16738962
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CC1(c2ccccc2C(F)(F)F)CCC1)C(=O)Nc1ccc(-c2cnco2)cc1
InChIKey
MQMBNYRGHBICFV-UHFFFAOYSA-N
Molecular formula
C23H19F3N2O3
Average molar mass
428.4 g/mol
Monoisotopic mass
428.13477696

Names & identifiers

Preferred name
n-(4-Oxazol-5-yl-phenyl)-2-oxo-3-[1-(2-trifluoromethyl-phenyl)-cyclobutyl]-propionamide
IUPAC
N-[4-(1,3-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide

Names & synonyms

SCHEMBL4967217N-(4-Oxazol-5-yl-phenyl)-2-oxo-3 -[1-(2-trifluoromethyl-phenyl)-cyclobutyl]-propionamiden-(4-oxazol-5-yl-phenyl)-2-oxo-3-[1-(2-trifluoromethyl-phenyl)-cyclobutyl]-propionamide

Database identifiers

PubChem CID
16738962

Properties

Computed structural properties

XLogP
5
Topological polar surface area
72.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Formal charge
0
Complexity
657

Related reactions

2 records
New reaction record
HRID 1147262 reaction equation
HRID 1147262As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1393913 reaction equation
HRID 1393913As productuspto-grants-2008_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes