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· · COA & SDS available for every product · Same-day shipping on in-stock items ML-191 - ≥98% , CAS No.931695-79-3
Synonyms
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | CID23612552 | 3-[1-[1-(4-methylphenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1, 3, 4-oxadiazol-2-one | CID23612552 | 3-[1-[1-(4-methylphenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1, 3, 4-oxadiazol-2-one
Specifications & Purity
≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)C2(CC2)C(=O)N3CCC(CC3)N4C(=O)OC(=N4)C5=CC=CC=C5 IUPAC Name 3-[1-[1-(4-methylphenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one InChIKey WWJKJCDOYFKZBJ-UHFFFAOYSA-N INCHI 1S/C24H25N3O3/c1-17-7-9-19(10-8-17)24(13-14-24)22(28)26-15-11-20(12-16-26)27-23(29)30-21(25-27)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3 Isomeric SMILES CC1=CC=C(C=C1)C2(CC2)C(=O)N3CCC(CC3)N4C(=O)OC(=N4)C5=CC=CC=C5 Molecular Weight 403.47 Reaxy-Rn 29689415 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29689415&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 Benzenoids Class Benzene and substituted derivatives Subclass Phenylacetamides Intermediate Tree Nodes Not available Direct Parent Phenylacetamides Alternative Parents N-acylpiperidines Toluenes Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylacetamide - N-acyl-piperidine - Toluene - Cyclopropanecarboxylic acid or derivatives - Piperidine - 1,3,4-oxadiazole - Azole - Oxadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. 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 403.500 g/mol XLogP3 4.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 403.19 Da Monoisotopic Mass 403.19 Da Topological Polar Surface Area 62.200 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 694.000 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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