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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide , CAS No.876713-68-7
Synonyms
ML236 | 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide | MLS000083181 | SMR000046910 | MLS003448165 | cid_665654 | BDBM38914 | CHEBI:93297 | HMS2280G13 | STK861117 | AKOS000633582 | MLS-0016382.0001 | MLS-0016382.0002 | SR-01000078096
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
ML236 | 3-[3-(4-tert-butylphenyl)-1, 2, 4-oxadiazol-5-yl]-N-methylpropanamide | MLS000083181 | SMR000046910 | MLS003448165 | cid_665654 | BDBM38914 | CHEBI:93297 | HMS2280G13 | STK861117 | AKOS000633582 | MLS-0016382.0001 | MLS-0016382.0002 | SR-01000078096
Product Properties Names and Identifiers Canonical Smiles CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC IUPAC Name 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide InChIKey NOGDJCUSTNXIOS-UHFFFAOYSA-N INCHI 1S/C16H21N3O2/c1-16(2,3)12-7-5-11(6-8-12)15-18-14(21-19-15)10-9-13(20)17-4/h5-8H,9-10H2,1-4H3,(H,17,20) Isomeric SMILES CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC Molecular Weight 287.36 Reaxy-Rn 23689940 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23689940&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Azoles Subclass Oxadiazoles Intermediate Tree Nodes 1,2,4-oxadiazoles Direct Parent Phenyloxadiazoles Alternative Parents Phenylpropanes Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenyl-1,2,4-oxadiazole - Phenylpropane - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 287.360 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 287.163 Da Monoisotopic Mass 287.163 Da Topological Polar Surface Area 68.000 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 346.000 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
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