N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
Basic information
- CAS
313516-31-3- Standard SMILES
Cc1cc(NC(=O)c2cccs2)no1- InChIKey
CSNHUYLTHDWJQS-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
- IUPAC
- N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
- English name
- 2-Thiophenecarboxamide,N-(5-methyl-3-isoxazolyl)-
- Molecular formula
- C9H8N2O2S
- Molecular weight
- 208.24
Names & synonyms
313516-31-3N-(5-methyl-3-isoxazolyl)-2-thiophenecarboxamideRefChem:362397N-(5-methylisoxazol-3-yl)thiophene-2-carboxamideN-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamideMLS-0111921.0001MLS000523642cid_670281SCHEMBL1520029CHEMBL1403754BDBM42073DTXSID101239996
Show more names
2-Thiophenecarboxamide,N-(5-methyl-3-isoxazolyl)-
HMS1647L09HMS2755P05Thiophene-2-carboxylic acid (5-methyl-isoxazol-3-yl)-amideSTK090537AKOS002126331SMR000122715ST044000N-(5-methylisoxazol-3-yl)-2-thienylcarboxamide
Database identifiers
- CAS
313516-31-3- PubChem CID
- 670281
- DTXSID
DTXSID101239996- ChEMBL
CHEMBL1403754
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Solubility>31.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 274.2 · 274.2±30.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- 11.67 · 11.67±0.70(Predicted)
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Compound notes
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