3-[4-[2-[(E)-2-phenylethenyl]-4-oxazolylmethylthio]phenyl]propionic acid

HCID 22009646
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Basic information

Standard SMILES
O=C(O)CCc1ccc(SCc2coc(/C=C/c3ccccc3)n2)cc1
InChIKey
VYHAMIHQOAFCMV-XYOKQWHBSA-N
Molecular formula
C21H19NO3S
Average molar mass
365.4 g/mol
Monoisotopic mass
365.10856464

Names & identifiers

Preferred name
3-[4-[2-[(E)-2-phenylethenyl]-4-oxazolylmethylthio]phenyl]propionic acid
IUPAC
3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methylsulfanyl]phenyl]propanoic acid

Names & synonyms

SCHEMBL5759910VYHAMIHQOAFCMV-XYOKQWHBSA-N3-[4-[2-[(E)-2-phenyl ethenyl]-4-oxazolylmethylthio]phenyl]propionic acid3-[4-[2-[(E)-2-phenylethenyl]-4-oxazolylmethylthio]phenyl]propionic acid

Database identifiers

PubChem CID
22009646

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
88.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
26

Related reactions

2 records
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Compound notes

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