Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester
Basic information
- CAS
145440-92-2- Standard SMILES
CCOC(=O)c1cccc(C)c1NC(=O)c1cc(C)on1- InChIKey
DKVXYJOFZQHUND-UHFFFAOYSA-N- Molecular formula
- C15H16N2O4
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.111007
Names & identifiers
- Preferred name
- Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester
- IUPAC
- ethyl 3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
Names & synonyms
BRN 5825450Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester145440-92-2Ethyl 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)benzoateDTXSID60163024RefChem:327236DTXCID2085515Ethyl 3-methyl-2-(5-methyl-1,2-oxazole-3-carboxamido)benzoate
Database identifiers
- CAS
145440-92-2- PubChem CID
- 3073013
- DTXSID
DTXSID60163024- Nikkaji
- J516.547D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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