Basic information
- CAS
851132-38-2- Standard SMILES
COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1- InChIKey
VPVUPMJTXCFVSR-UHFFFAOYSA-N- Molecular formula
- C16H16N4O3S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.09431156
Overview
2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide is a member of imidazoles.
Names & identifiers
- Preferred name
- 2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
- IUPAC
- 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Names & synonyms
851132-38-22-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide2-{[1-(3-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamideF0599-0244MLS000683039CHEMBL1600499CHEBI:120917DTXSID901321975HMS2726H14SMSSF-0058536
Show more names
AKOS024585953SMR000323108Q27209091N-(5-methyl-3-isoxazolyl)[1-(m-methoxyphenyl)-2-imidazolylthio]acetamide
Database identifiers
- CAS
851132-38-2- PubChem CID
- 4612901
- DTXSID
DTXSID901321975- ChEMBL
CHEMBL1600499- ChEBI
CHEBI:120917
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
Solubility37.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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