Cas no 16112-19-9 (Isoxazole,5-(4-methylphenyl)-3-phenyl-)
16112-19-9 structure
Product Name:Isoxazole,5-(4-methylphenyl)-3-phenyl-
CAS No:16112-19-9
MF:C16H13NO
MW:235.280524015427
CID:162017
PubChem ID:296680
Update Time:2025-04-19
Isoxazole,5-(4-methylphenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,5-(4-methylphenyl)-3-phenyl-
- 5-(4-methylphenyl)-3-phenyl-1,2-oxazole
- 3-phenyl-5-(4-tolyl)-isoxazole
- 3-Phenyl-5-p-tolyl-isoxazol
- 3-phenyl-5-p-tolylisoxazole
- 3-phenyl-5-p-tolyl-isoxazole
- 5-(4'-methylphenyl)-3-phenylisoxazole
- 5-(4-methylphenyl)-3-phenylisoxazole
- 5-(p-methylphenyl)-3-phenyl-2-isoxazole
- AC1L6QGS
- HMS2211G18
- Isoxazole, 3-phenyl-5-p-tolyl-
- NSC167130
- Isoxazole, 5-(4-methylphenyl)-3-phenyl-
- MLS001242722
- CHEMBL1522470
- DTXSID30304740
- cid_296680
- SMR000841528
- SCHEMBL11646186
- BDBM76753
- NSC-167130
- 16112-19-9
- 3-phenyl-5-(p-tolyl)isoxazole
- HMS3328D09
-
- Inchi: 1S/C16H13NO/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-11H,1H3
- InChI Key: DTBZUMKAINUIIW-UHFFFAOYSA-N
- SMILES: O1C(=CC(C2C=CC=CC=2)=N1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 235.09979
- Monoisotopic Mass: 235.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 4.1
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
- LogP: 4.31700
Isoxazole,5-(4-methylphenyl)-3-phenyl- Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
16112-19-9 (Isoxazole,5-(4-methylphenyl)-3-phenyl-) Related Products
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