Basic information
- CAS
349617-25-0- Standard SMILES
COc1ccc(C(=O)Nc2cc(C)on2)c(OC)c1- InChIKey
MYKFBKYCDBCZGA-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
- IUPAC
- 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
- English name
- 2,4-dimethoxy-N-(5-methyl-3-isoxazolyl)benzamide
- Molecular formula
- C13H14N2O4
- Molecular weight
- 262.26
Names & synonyms
2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide349617-25-02,4-dimethoxy-N-(5-methyl-3-isoxazolyl)benzamideOprea1_355998Oprea1_547512MLS0012112152,4-Dimethoxy-N-(5-methyl-isoxazol-3-yl)-benzamideCHEMBL1490328DTXSID301321915HMS2836A16STK042147AKOS000650166
Show more names
Benzamide, 2,4-dimethoxy-N-(5-methyl-3-isoxazolyl)-
SMR000518079ST044055AB00112436-012,4-dimethoxy-N-(5-methylisoxazol-3-yl)benzamideAK-968/40062075(2,4-dimethoxyphenyl)-N-(5-methylisoxazol-3-yl)carboxamide
Database identifiers
- CAS
349617-25-0- PubChem CID
- 670331
- DTXSID
DTXSID301321915- ChEMBL
CHEMBL1490328
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
Solubility21.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 375.2 · 375.2±42.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 11.54 · 11.54±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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