Methyl [2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetate
Basic information
- CAS
111989-94-7- Standard SMILES
COC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccccc1- InChIKey
ZMHWOUCYAHUXBC-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.066221
Names & identifiers
- Preferred name
- Methyl [2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetate
- IUPAC
- methyl 2-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetate
Names & synonyms
111989-94-7Methyl 2-(2-(4-chlorophenyl)-5-phenyloxazol-4-yl)acetateSCHEMBL10652849DTXSID00712176Methyl [2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetate
Database identifiers
- CAS
111989-94-7- PubChem CID
- 54554643
- DTXSID
DTXSID00712176
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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