Cas no 83666-02-8 (Isoxazole, 5-(1-methylpropyl)-3-phenyl-)
83666-02-8 structure
Product Name:Isoxazole, 5-(1-methylpropyl)-3-phenyl-
CAS No:83666-02-8
MF:C13H15NO
MW:201.264303445816
CID:1812095
PubChem ID:10420359
Update Time:2025-04-21
Isoxazole, 5-(1-methylpropyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-(1-methylpropyl)-3-phenyl-
- 5-butan-2-yl-3-phenyl-1,2-oxazole
- 83666-02-8
- 5-(sec-Butyl)-3-phenylisoxazole
- DTXSID90439587
-
- Inchi： 1S/C13H15NO/c1-3-10(2)13-9-12(14-15-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
- InChI Key： DHSUTCFEDLSUER-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC=CC=2)=N1)C(C)CC
Computed Properties
- Exact Mass: 201.115364102g/mol
- Monoisotopic Mass: 201.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26?2
Isoxazole, 5-(1-methylpropyl)-3-phenyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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