Basic information
- CAS
67292-58-4- Standard SMILES
CC(C)CC(=O)Nc1nnc(-c2ccccc2)o1- InChIKey
IXAUQZACRXSKQL-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.11642673
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 2-(isobutyrylamido)-5-phenyl-
- IUPAC
- 3-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
- English name
- 2-(1-Oxo-2-methylpropylamino)-5-phenyl-1,3,4-oxadiazole
- Molecular formula
- C12H13N3O2
- Molecular weight
- 231.25
Names & synonyms
1,3,4-OXADIAZOLE, 2-(ISOBUTYRYLAMIDO)-5-PHENYL-2-(Isobutyrylamido)-5-phenyl-1,3,4-oxadiazole67292-58-4DTXSID50217626RefChem:216915DTXCID001401173-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide2-(1-Oxo-2-methylpropylamino)-5-phenyl-1,3,4-oxadiazolePropanamide, 2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-
Database identifiers
- CAS
67292-58-4- PubChem CID
- 49752
- DTXSID
DTXSID50217626
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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