| Canonical Smiles | C1=CC=C(C=C1)C2=NN=C(O2)C(=O)N |
|---|---|
| IUPAC Name | 5-phenyl-1,3,4-oxadiazole-2-carboxamide |
| InChIKey | UPYDLJVHFJXBAB-UHFFFAOYSA-N |
| INCHI | 1S/C9H7N3O2/c10-7(13)9-12-11-8(14-9)6-4-2-1-3-5-6/h1-5H,(H2,10,13) |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NN=C(O2)C(=O)N |
| PubChem CID | 589256 |
| Molecular Weight | 189.17 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | 2-heteroaryl carboxamides |
| Alternative Parents | Benzene and substituted derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Primary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group. |
| External Descriptors | Not available |
| Molecular Weight | 189.170 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 189.054 Da |
| Monoisotopic Mass | 189.054 Da |
| Topological Polar Surface Area | 82.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 216.000 |
| 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 |
