4-(2-Hydroxyethyl)-5-methyloxazole
PubChem CID: 22926318
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| Compound Synonyms | 4-(2-hydroxyethyl)-5-methyloxazole, SCHEMBL6712382, CHEBI:207479, 2-(5-methyl-1,3-oxazol-4-yl)ethanol |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 87.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-methyl-1,3-oxazol-4-yl)ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C6H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFOLRXLMTRGIOM-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | 0.352 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.836 |
| Compound Name | 4-(2-Hydroxyethyl)-5-methyloxazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 127.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 127.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.127897711111111 |
| Inchi | InChI=1S/C6H9NO2/c1-5-6(2-3-8)7-4-9-5/h4,8H,2-3H2,1H3 |
| Smiles | CC1=C(N=CO1)CCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients