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(4RS,5SR)-5-[4-(benzyloxy)phenyl]-4-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-1,3-oxazolidin 2-one

HCID 22262007
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C1NC(Cc2cccc(OC(F)(F)C(F)F)c2)C(c2ccc(OCc3ccccc3)cc2)O1
InChIKey
NSLYZCMIOHTBNS-UHFFFAOYSA-N
Molecular formula
C25H21F4NO4
Average molar mass
475.4 g/mol
Monoisotopic mass
475.1406708

Names & identifiers

Preferred name
(4RS,5SR)-5-[4-(benzyloxy)phenyl]-4-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-1,3-oxazolidin 2-one
IUPAC
5-(4-phenylmethoxyphenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-1,3-oxazolidin-2-one

Names & synonyms

(4RS,5SR)-5-[4-(benzyloxy)phenyl]-4-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-1,3-oxazolidin 2-oneSCHEMBL5751375(4RS,5SR)-5-[4-(benzyloxy)phenyl]-4-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-1,3-oxazolidin-2-one

Database identifiers

PubChem CID
22262007

Properties

Computed structural propertiesFilling in

XLogP
6.3
Topological polar surface area
56.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
34
Formal charge
0
Complexity
653

Related reactions

3 records
New reaction record
HRID 1610547 reaction equation
HRID 1610547As productuspto-grants-2006_01
HRID 1610548 reaction equation
HRID 1610548As reactantuspto-grants-2006_01
HRID 2125906 reaction equation
HRID 2125906As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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