3-Phenyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
Basic information
- CAS
13243-54-4- Standard SMILES
c1ccc(-c2noc3c2CCC3)cc1- InChIKey
DICLDVWWWGBOOB-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- 3-Phenyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
- IUPAC
- 3-phenyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
Names & synonyms
13243-54-43-Phenyl-5,6-dihydro-4H-cyclopenta[d]isoxazole3-Phenyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazoleDTXSID70617947
Database identifiers
- CAS
13243-54-4- PubChem CID
- 21780822
- DTXSID
DTXSID70617947- Nikkaji
- J467.894J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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