| Canonical Smiles | CN1CC(OC1=O)CO |
|---|---|
| IUPAC Name | 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one |
| InChIKey | NOGODPXRSZBASZ-UHFFFAOYSA-N |
| INCHI | 1S/C5H9NO3/c1-6-2-4(3-7)9-5(6)8/h4,7H,2-3H2,1H3 |
| Molecular Weight | 131.13 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Oxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxazolidinones |
| Alternative Parents | Carbamate esters Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxazolidinone - Carbamic acid ester - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 131.130 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 131.058 Da |
| Monoisotopic Mass | 131.058 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 125.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
