4(5H)-Oxazolone, 5-[(R)-(4-chlorophenyl)hydroxymethyl]-2-(spiro[isobenzofuran-1(3H),4a(2)-piperidin]-1a(2)-yl)-, (5S)-
Basic information
- CAS
1884244-02-3- Standard SMILES
O=C1N=C(N2CCC3(CC2)OCc2ccccc23)O[C@H]1[C@H](O)c1ccc(Cl)cc1- InChIKey
JCYKNLAYEGVMJZ-MOPGFXCFSA-N- Molecular formula
- C22H21ClN2O4
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.1189848
Names & identifiers
- Preferred name
- 4(5H)-Oxazolone, 5-[(R)-(4-chlorophenyl)hydroxymethyl]-2-(spiro[isobenzofuran-1(3H),4a(2)-piperidin]-1a(2)-yl)-, (5S)-
- IUPAC
- (5S)-5-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-oxazol-4-one
Names & synonyms
DTXSID3011078321884244-02-34(5H)-Oxazolone, 5-[(R)-(4-chlorophenyl)hydroxymethyl]-2-(spiro[isobenzofuran-1(3H),4a(2)-piperidin]-1a(2)-yl)-, (5S)-
Database identifiers
- CAS
1884244-02-3- PubChem CID
- 165367353
- DTXSID
DTXSID301107832
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 655
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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