2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide
Basic information
- CAS
100695-73-6- Standard SMILES
C#CCC(C(=O)NC(C)(C)c1ccccc1)c1noc2ccccc12- InChIKey
GUZDJCJUFYXYTC-UHFFFAOYSA-N- Molecular formula
- C21H20N2O2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.15247789
Names & identifiers
- Preferred name
- 2-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide
- IUPAC
- 2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamide
Names & synonyms
100695-73-62-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynamideDTXSID309056702-(1,2-Benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)pent-4-ynimidic acid
Database identifiers
- CAS
100695-73-6- PubChem CID
- 180908
- DTXSID
DTXSID30905670
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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