Methyl 2-(2-chlorophenylamino)-6-benzoxazolylacetate
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Basic information
- Standard SMILES
COC(=O)Cc1ccc2nc(Nc3ccccc3Cl)oc2c1- InChIKey
GSLIFTZEPGERAL-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O3
- Average molar mass
- 316.74 g/mol
- Monoisotopic mass
- 316.06147
Names & identifiers
- Preferred name
- Methyl 2-(2-chlorophenylamino)-6-benzoxazolylacetate
- IUPAC
- methyl 2-[2-(2-chloroanilino)-1,3-benzoxazol-6-yl]acetate
Names & synonyms
SCHEMBL2434527GSLIFTZEPGERAL-UHFFFAOYSA-Nmethyl 2-(2-chlorophenylamino)-6-benzoxazolylacetate
Database identifiers
- PubChem CID
- 58779049
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
2 records
Compound notes
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