Ethyl 2-[2-(4-chlorophenyl)-5-(3-thienyl)-4-oxazolyl]acetate
Basic information
- Standard SMILES
CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1- InChIKey
JHGPQBJJUZHLED-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO3S
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.0382922
Names & identifiers
- Preferred name
- Ethyl 2-[2-(4-chlorophenyl)-5-(3-thienyl)-4-oxazolyl]acetate
- IUPAC
- ethyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
Names & synonyms
CHEMBL417274SCHEMBL11078585JHGPQBJJUZHLED-UHFFFAOYSA-Nethyl 2-[2-(4-chlorophenyl)-5-(3-thienyl)-4-oxazolyl]acetate
Database identifiers
- PubChem CID
- 13105437
- ChEMBL
CHEMBL417274
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Related reactions
3 records
Compound notes
Loading…