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5-Cyclopentyl-1,3,4-oxadiazol-2-amine - Reagent Grade, high purity , CAS No.90221-15-1
Basic Description
Synonyms
5-Cyclopentyl-1,3,4-oxadiazol-2-amine, AldrichCPR | 1-o-acetyl-2,3,5-tri-o-p-chlorobenzoyl-beta-d-ribofuranose | AKOS000154590 | SCHEMBL19059143 | 5-cyclopentyl-1,3,4-oxadiazol-2-amine | Z285233776 | EN300-238559 | DTXSID90602693 | AT21215 | LS-02162 | A9
Specifications & Purity
Reagent grade
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxadiazoles
Intermediate Tree Nodes
Not available
Direct Parent
1,3,4-oxadiazoles
Alternative Parents
Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Heteroaromatic compound - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 3, and 4, respectively.
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.
Names and Identifiers
IUPAC Name
5-cyclopentyl-1,3,4-oxadiazol-2-amine
INCHI
InChI=1S/C7H11N3O/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)
InChIKey
ZMMAKUGJTOHVRG-UHFFFAOYSA-N
Smiles
C1CCC(C1)C2=NN=C(O2)N
Isomeric SMILES
C1CCC(C1)C2=NN=C(O2)N
Molecular Weight
153.19
Reaxy-Rn
909177
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=909177&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
153.180 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
153.09 Da
Monoisotopic Mass
153.09 Da
Topological Polar Surface Area
64.900 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136.000
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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