N1-(3-methyl-5-isoxazolyl)acetamide
Basic information
- CAS
68901-49-5- Standard SMILES
CC(=O)Nc1cc(C)no1- InChIKey
UYQNAXVUQCFHSN-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Names & identifiers
- Preferred name
- N1-(3-methyl-5-isoxazolyl)acetamide
- IUPAC
- N-(3-methyl-1,2-oxazol-5-yl)acetamide
- English name
- N1-(3-Methyl-5-isoxazolyl)acetamide
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
68901-49-5N1-(3-methyl-5-isoxazolyl)acetamideN-(3-methylisoxazol-5-yl)acetamideN-(3-methyl-1,2-oxazol-5-yl)acetamideMFCD00728606NSC152536SCHEMBL1430802SCHEMBL6709130DTXSID90988606N-(3-methylisoxazol-5-yl) acetamideAKOS015994157MS-1674
Show more names
Acetamide, N-(3-methyl-5-isoxazolyl)-
NSC-152536CS-0367759N-(3-Methyl-1,2-oxazol-5-yl)ethanimidic acidF5067-0001
Database identifiers
- CAS
68901-49-5- PubChem CID
- 289987
- DTXSID
DTXSID90988606- Nikkaji
- J466.431K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 161 °C · 161 °C
- Boiling point
- 340.3 · 340.3±22.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 13.42 · 13.42±0.70(Predicted)
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Related reactions
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Compound notes
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