≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCNC1=NNC(=C1C2=NC(=NO2)C3=CC=C(C=C3)OC)N |
|---|---|
| IUPAC Name | 3-N-ethyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-3,5-diamine |
| InChIKey | VGHJLRBTLJCBHK-UHFFFAOYSA-N |
| INCHI | 1S/C14H16N6O2/c1-3-16-13-10(11(15)18-19-13)14-17-12(20-22-14)8-4-6-9(21-2)7-5-8/h4-7H,3H2,1-2H3,(H4,15,16,18,19) |
| Isomeric SMILES | CCNC1=NNC(=C1C2=NC(=NO2)C3=CC=C(C=C3)OC)N |
| PubChem CID | 135935340 |
| Molecular Weight | 300.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | 1,2,4-oxadiazoles |
| Direct Parent | Phenyloxadiazoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Imidolactams Pyrazoles Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrazones Azacyclic compounds Amidines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-oxadiazole - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Carboxylic acid amidrazone - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Hydrazone - Ether - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 300.320 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 300.133 Da |
| Monoisotopic Mass | 300.133 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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 |
![3-N-ethyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-3,5-diamine - ≥95% , CAS No.1188305-09-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)