| Canonical Smiles | CCOC1=CN=C(O1)C2=CC=C(C=C2)C |
|---|---|
| IUPAC Name | 5-ethoxy-2-(4-methylphenyl)-1,3-oxazole |
| InChIKey | LAFKVWUIJCKQCZ-UHFFFAOYSA-N |
| INCHI | 1S/C12H13NO2/c1-3-14-11-8-13-12(15-11)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3 |
| Isomeric SMILES | CCOC1=CN=C(O1)C2=CC=C(C=C2)C |
| PubChem CID | 1489635 |
| Molecular Weight | 203.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Oxazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl-1,3-oxazoles |
| Alternative Parents | Toluenes Alkyl aryl ethers 2,5-disubstituted oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,3-oxazole - 2,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 203.240 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 203.095 Da |
| Monoisotopic Mass | 203.095 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 190.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
