3,4-Dimethyl-5-phenyloxazolidine
PubChem CID: 434666
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| Compound Synonyms | 3,4-Dimethyl-5-phenyloxazolidine, 3,4-dimethyl-5-phenyl-1,3-oxazolidine, 66574-19-4, NSC354436, SCHEMBL11157070, DTXSID10985172, NSC354433, NSC354435, NSC-354433, NSC-354435, NSC-354436, Oxazolidine,4-dimethyl-5-phenyl-, (4S-cis)-, SR-01000492232, SR-01000492232-1 |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dimethyl-5-phenyl-1,3-oxazolidine |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C11H15NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | POZQVPIDBKNJTK-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -1.463 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.984 |
| Compound Name | 3,4-Dimethyl-5-phenyloxazolidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 177.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4429698615384616 |
| Inchi | InChI=1S/C11H15NO/c1-9-11(13-8-12(9)2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
| Smiles | CC1C(OCN1C)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients