3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID: 237192
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| Compound Synonyms | 6317-31-3, 3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one, 3,4-Dimethyl-5-phenyloxazolidin-2-one, MLS002608238, 3,4beta-dimethyl-5alpha-phenyloxazolidine-2-one, 3,4-dimethyl-5-phenyl-oxazolidin-2-one, (4S,5R) Ephedroxane, 2-Oxazolidinone, 3,4-dimethyl-5-phenyl-, SCHEMBL9016269, CHEMBL2136518, DTXSID30285106, CHEBI:228934, HMS3078D18, NSC40497, NSC-40497, SMR001526989, trans-3,4-dimethyl-5-phenyl-2-oxazolidone, 2-Oxazolidinone, 3,4-dimethyl-5-phenyl-, (4S,5S)- |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 223.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P63092 |
| Iupac Name | 3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C11H13NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MNYARIILPGRTQL-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.475 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.104 |
| Compound Name | 3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 191.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 191.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 191.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4485688571428574 |
| Inchi | InChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| Smiles | CC1C(OC(=O)N1C)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Distachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ephedra Gerardiana (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ephedra Minuta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all