Cas no 648440-94-2 (1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl-)
648440-94-2 structure
Product Name:1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl-
CAS No:648440-94-2
MF:C28H34N4O2
MW:458.595166683197
CID:414290
PubChem ID:66869250
Update Time:2025-04-19
1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-phenyl-3-[12-(5-phenyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole
- 648440-94-2
- 3,3'-(Dodecane-1,12-diyl)bis(5-phenyl-1,2,4-oxadiazole)
- SCHEMBL990519
- DTXSID80735924
- 1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl-
-
- Inchi: 1S/C28H34N4O2/c1(3-5-7-15-21-25-29-27(33-31-25)23-17-11-9-12-18-23)2-4-6-8-16-22-26-30-28(34-32-26)24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2
- InChI Key: UJFBLNKXEZVOSE-UHFFFAOYSA-N
- SMILES: O1C(C2C=CC=CC=2)=NC(CCCCCCCCCCCCC2=NOC(C3C=CC=CC=3)=N2)=N1
Computed Properties
- Exact Mass: 458.26817634g/mol
- Monoisotopic Mass: 458.26817634g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 15
- Complexity: 479
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9
- Topological Polar Surface Area: 77.8?2
1,2,4-Oxadiazole, 3,3'-(1,12-dodecanediyl)bis[5-phenyl- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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