Cas no 649721-03-9 (Isoxazole, 5-heptadecyl-3-methyl-)
649721-03-9 structure
Product Name:Isoxazole, 5-heptadecyl-3-methyl-
CAS No:649721-03-9
MF:C21H39NO
MW:321.540466547012
CID:410827
PubChem ID:12082104
Update Time:2025-04-19
Isoxazole, 5-heptadecyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-heptadecyl-3-methyl-
- 5-heptadecyl-3-methyl-1,2-oxazole
- DTXSID70477245
- 5-heptadecyl-3-methylisoxazole
- 649721-03-9
-
- Inchi： 1S/C21H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20(2)22-23-21/h19H,3-18H2,1-2H3
- InChI Key： UJNZHXCMYWVDOJ-UHFFFAOYSA-N
- SMILES： O1C(=CC(C)=N1)CCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 321.30337
- Monoisotopic Mass: 321.303164868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 16
- Complexity: 244
- 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: 9.5
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole, 5-heptadecyl-3-methyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
649721-03-9 (Isoxazole, 5-heptadecyl-3-methyl-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
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