(6R,7R,7aS)-Tetrahydro-7-(4-hydroxy-1-naphthalenyl)-3,3-dimethyl-6-(1-methylethyl)-3H,5H-pyrrolo[1,2-c]oxazol-5-one
Basic information
- CAS
210534-41-1- Standard SMILES
CC(C)[C@H]1C(=O)N2[C@H](COC2(C)C)[C@H]1c1ccc(O)c2ccccc12- InChIKey
YOTXHVPTDMMMCN-BHIYHBOVSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- (6R,7R,7aS)-Tetrahydro-7-(4-hydroxy-1-naphthalenyl)-3,3-dimethyl-6-(1-methylethyl)-3H,5H-pyrrolo[1,2-c]oxazol-5-one
- IUPAC
- (6R,7R,7aS)-7-(4-hydroxynaphthalen-1-yl)-3,3-dimethyl-6-propan-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
Names & synonyms
DTXSID401106699(6R,7R,7aS)-Tetrahydro-7-(4-hydroxy-1-naphthalenyl)-3,3-dimethyl-6-(1-methylethyl)-3H,5H-pyrrolo[1,2-c]oxazol-5-one210534-41-1
Database identifiers
- CAS
210534-41-1- PubChem CID
- 165367248
- DTXSID
DTXSID401106699
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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