Cas no 92552-31-3 (5-benzyl-2-methylbenzoxazole)
5-benzyl-2-methylbenzoxazole structure
Product Name:5-benzyl-2-methylbenzoxazole
CAS No:92552-31-3
MF:C15H13NO
MW:223.269823789597
CID:883155
PubChem ID:97393
Update Time:2025-04-19
5-benzyl-2-methylbenzoxazole Chemical and Physical Properties
Names and Identifiers
-
- 5-benzyl-2-methylbenzoxazole
- 5-benzyl-2-methyl-1,3-benzoxazole
- 5-Benzyl-2-methylbenzo[d]oxazole
- DTXSID10239041
- SMR001574441
- NSC120633
- 92552-31-3
- NSC-120633
- NS00039470
- EINECS 296-361-9
- MLS002707045
- CHEMBL1871975
- NSC 120633
-
- Inchi： 1S/C15H13NO/c1-11-16-14-10-13(7-8-15(14)17-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
- InChI Key： QJPSBMDBZCLZKY-UHFFFAOYSA-N
- SMILES： O1C(C)=NC2=C1C=CC(=C2)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 223.099714038g/mol
- Monoisotopic Mass: 223.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 249
- 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
5-benzyl-2-methylbenzoxazole Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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