Basic information
- CAS
247060-68-0- Standard SMILES
Cc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)c(-c2ccccc2)o1- InChIKey
VCRGOXRGOBRPRH-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.16812795
Names & identifiers
- Preferred name
- 2,2-Dimethyl-N-[4-(2-methyl-5-phenyl-4-oxazolyl)phenyl]propanamide
- IUPAC
- 2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamide
Names & synonyms
2,2-Dimethyl-N-[4-(2-methyl-5-phenyl-4-oxazolyl)phenyl]propanamide247060-68-02,2-Dimethyl-N-(4-(2-methyl-5-phenyl-4-oxazolyl)phenyl)propanamideRefChem:243548Maybridge3_000595Oprea1_190118MLS001181536CHEMBL1487904DTXSID901163991HMS1432L01HMS2858L12CCG-41001
Show more names
2,2-dimethyl-N-[4-(2-methyl-5-phenyl-1,3-oxazol-4-yl)phenyl]propanamideIDI1_011982SMR000567217SR-01000631108-1BRD-K36422613-001-07-3
Database identifiers
- CAS
247060-68-0- PubChem CID
- 2801422
- DTXSID
DTXSID901163991- ChEMBL
CHEMBL1487904
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
Solubility0.8 [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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