Basic information
- CAS
709656-07-5- Standard SMILES
CC(C)(C)OC(=O)C1COC(c2ccccc2)=N1- InChIKey
NFTCCWULNGORJA-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
Names & synonyms
RefChem:2652232-P-OACA-BE2-phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester2-phenyl-2-oxazoline-4-carboxylate tert-butyl esterTert-butyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylateSCHEMBL3109676DTXSID00471413NFTCCWULNGORJA-UHFFFAOYSA-N2-phenyl-4, 5-dihydro-oxazole-4-carboxylic acid tert-butyl ester
Database identifiers
- CAS
709656-07-5- PubChem CID
- 11736742
- DTXSID
DTXSID00471413- Nikkaji
- J2.041.680G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
2 records
Compound notes
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