methyl (2S)-2-[2,6-dimethyl-N-(1,2-oxazole-5-carbonyl)anilino]propanoate
Basic information
- CAS
94343-58-5- Standard SMILES
COC(=O)[C@H](C)N(C(=O)c1ccno1)c1c(C)cccc1C- InChIKey
BUOPJVSYGFUGFS-LBPRGKRZSA-N- Molecular formula
- C16H18N2O4
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.12665706
Names & identifiers
- Preferred name
- methyl (2S)-2-[2,6-dimethyl-N-(1,2-oxazole-5-carbonyl)anilino]propanoate
- IUPAC
- methyl (2S)-2-[2,6-dimethyl-N-(1,2-oxazole-5-carbonyl)anilino]propanoate
Names & synonyms
94343-58-5LAB 149202Fmethyl (2S)-2-[2,6-dimethyl-N-(1,2-oxazole-5-carbonyl)anilino]propanoateSCHEMBL394927DTXSID50915635methyl N-(2,6-dimethylphenyl)-N-(isoxazole-5-carbonyl)-L-alaninateMethyl N-(2,6-dimethylphenyl)-N-(1,2-oxazole-5-carbonyl)alaninateAlanine, N-(2,6-dimethylphenyl)-N-(5-isoxazolylcarbonyl)-, methyl esterMethyl N-(2,6-dimethylphenyl)-N-(1,2-oxazole-5-carbonyl)-L-alaninateDL-Alanine, N-(2,6-dimethylphenyl)-N-(5-isoxazolylcarbonyl)-, methyl ester
Database identifiers
- CAS
94343-58-5- PubChem CID
- 185334
- DTXSID
DTXSID50915635
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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