N-{3-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenyl}-methanesulfonamide
Basic information
- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1- InChIKey
GLMNSBOYTMQJRN-UHFFFAOYSA-N- Molecular formula
- C20H18N4O5S
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.09979086
Names & identifiers
- Preferred name
- N-{3-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenyl}-methanesulfonamide
- IUPAC
- N-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL1930420GLMNSBOYTMQJRN-UHFFFAOYSA-NN-{3-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenyl}-methanesulfonamideN-{3-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenyl}-methanesulfonyl-amine
Database identifiers
- PubChem CID
- 16722643
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 669
Related reactions
3 records
Compound notes
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