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2,5-Diphenyl-1,3,4-oxadiazole - 98%, high purity , CAS No.725-12-2
Basic Description
Synonyms
2,5-Diphenyl-1,3,4-oxadiazole | 725-12-2 | 2,5-Diphenyloxadiazole | 1,3,4-Oxadiazole, 2,5-diphenyl- | 1,3,4-OXADIAZOLE, 2-5-DIPHENYL- | 2,5-Diphenyl-[1,3,4]oxadiazole | diphenyl-1,3,4-oxadiazole | EINECS 211-968-0 | NSC 53152 | BRN 0170385 | 1,3,4-Oxadiazole,2,5-diphenyl- | MF
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Heteroaromatic compound - Oxadiazole - Azole - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488181751
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181751
IUPAC Name
2,5-diphenyl-1,3,4-oxadiazole
INCHI
InChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
InChIKey
DCJKUXYSYJBBRD-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3
Isomeric SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3
RTECS
RO0802500
Molecular Weight
222.25
Beilstein
170385
Reaxy-Rn
170385
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170385&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
231°C/13mmHg
Melt Point(°C)
138-141°C
Molecular Weight
222.240 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
222.079 Da
Monoisotopic Mass
222.079 Da
Topological Polar Surface Area
38.900 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
210.000
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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