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3-[4-[(4,5-Diphenyl-2-oxazolyl)methoxy]phenyl]propanoic Acid

HCID 19783626
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(O)CCc1ccc(OCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1
InChIKey
XPKIFAAGAKTTLV-UHFFFAOYSA-N
Molecular formula
C25H21NO4
Average molar mass
399.4 g/mol

Names & identifiers

Preferred name
3-[4-[(4,5-Diphenyl-2-oxazolyl)methoxy]phenyl]propanoic Acid
IUPAC
3-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)methoxy]phenyl]propanoic acid

Names & synonyms

SCHEMBL9452935XPKIFAAGAKTTLV-UHFFFAOYSA-N3-[4-[(4,5-Diphenyl-2-oxazolyl)methoxy]phenyl]propanoic Acid

Database identifiers

PubChem CID
19783626

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
72.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
30
Formal charge
0
Complexity
521

Related reactions

1 records
New reaction record
HRID 257631 reaction equation
HRID 257631As productuspto-grants-1993_11

Compound notes

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