6,6-dimethyl-2-phenyl-3-propan-2-yl-5,7-dihydro-3H-1,2-benzoxazol-4-one
Basic information
- CAS
5676-14-2- Standard SMILES
CC(C)C1C2=C(CC(C)(C)CC2=O)ON1c1ccccc1- InChIKey
AZFLSHFJGOJQBG-UHFFFAOYSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Names & identifiers
- Preferred name
- 6,6-dimethyl-2-phenyl-3-propan-2-yl-5,7-dihydro-3H-1,2-benzoxazol-4-one
- IUPAC
- 6,6-dimethyl-2-phenyl-3-propan-2-yl-5,7-dihydro-3H-1,2-benzoxazol-4-one
Names & synonyms
MLS0001078306,6-dimethyl-2-phenyl-3-propan-2-yl-5,7-dihydro-3H-1,2-benzoxazol-4-one5676-14-2SMR0001037943-isopropyl-6,6-dimethyl-2-phenyl-3,5,6,7-tetrahydro-1,2-benzisoxazol-4(2H)-oneOprea1_278197CHEMBL1333614BDBM74682cid_2860985DTXSID50386366HMS2499O04NCGC00080603-02
Show more names
AH-487/11927022SR-01000216711SR-01000216711-13-isopropyl-6,6-dimethyl-2-phenyl-5,7-dihydro-3H-indoxazen-4-one6,6-Dimethyl-2-phenyl-3-(propan-2-yl)-3,5,6,7-tetrahydro-1,2-benzoxazol-4(2H)-one
Database identifiers
- CAS
5676-14-2- PubChem CID
- 2860985
- DTXSID
DTXSID50386366- ChEMBL
CHEMBL1333614
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 458
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Related reactions
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Compound notes
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