Basic information
- Standard SMILES
COC(=O)c1ccccc1NCc1cc(C)no1- InChIKey
ZRBATLCTBJBCJI-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
Names & identifiers
- Preferred name
- Methyl 2-{[(3-methylisoxazol-5-yl)methyl]amino}-benzoate
- IUPAC
- methyl 2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzoate
Names & synonyms
methyl 2-{[(3-methylisoxazol-5-yl)methyl]amino}-benzoate1035271-05-6SCHEMBL63695ZRBATLCTBJBCJI-UHFFFAOYSA-NDA-48219
Database identifiers
- PubChem CID
- 57440405
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Related reactions
7 records
Linked notes
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