| Canonical Smiles | CCOC1=CN=C(O1)C2=CC=C(C=C2)OC |
|---|---|
| IUPAC Name | 5-ethoxy-2-(4-methoxyphenyl)-1,3-oxazole |
| InChIKey | AFQUGOKSOKISQG-UHFFFAOYSA-N |
| INCHI | 1S/C12H13NO3/c1-3-15-11-8-13-12(16-11)9-4-6-10(14-2)7-5-9/h4-8H,3H2,1-2H3 |
| Isomeric SMILES | CCOC1=CN=C(O1)C2=CC=C(C=C2)OC |
| PubChem CID | 2763518 |
| Molecular Weight | 219.24 |
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 | Phenoxy compounds Methoxybenzenes Anisoles 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 - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - 2,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - 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 |
| Melt Point(°C) | 47-49° |
|---|---|
| Molecular Weight | 219.240 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 219.09 Da |
| Monoisotopic Mass | 219.09 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 204.000 |
| 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 |
