4-(4-Chlorophenyl)-2-isopropoxy-5-oxazolepropionic acid

HCID 54568907
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Basic information

Standard SMILES
CC(C)Oc1nc(-c2ccc(Cl)cc2)c(CCC(=O)O)o1
InChIKey
ZVVLHTKYBLJBOV-UHFFFAOYSA-N
Molecular formula
C15H16ClNO4
Average molar mass
309.74 g/mol
Monoisotopic mass
309.0767857

Names & identifiers

Preferred name
4-(4-Chlorophenyl)-2-isopropoxy-5-oxazolepropionic acid
IUPAC
3-[4-(4-chlorophenyl)-2-propan-2-yloxy-1,3-oxazol-5-yl]propanoic acid

Names & synonyms

SCHEMBL7457822ZVVLHTKYBLJBOV-UHFFFAOYSA-N4-(4-chlorophenyl)-2-isopropoxy-5-oxazolepropionic acid

Database identifiers

PubChem CID
54568907

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
72.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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