Cas no 62921-39-5 (Oxazole, 4-(4-methoxyphenyl)-2-phenyl-)
62921-39-5 structure
Product Name:Oxazole, 4-(4-methoxyphenyl)-2-phenyl-
CAS No:62921-39-5
MF:C16H13NO2
MW:251.279924154282
CID:428733
PubChem ID:12330178
Update Time:2025-04-19
Oxazole, 4-(4-methoxyphenyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
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- Oxazole, 4-(4-methoxyphenyl)-2-phenyl-
- 4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
- DTXSID00490422
- 62921-39-5
-
- Inchi： 1S/C16H13NO2/c1-18-14-9-7-12(8-10-14)15-11-19-16(17-15)13-5-3-2-4-6-13/h2-11H,1H3
- InChI Key： HSUPDPKVVOMYCT-UHFFFAOYSA-N
- SMILES： O1C=C(C2C=CC(=CC=2)OC)N=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 251.09469
- Monoisotopic Mass: 251.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 270
- 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: 3.6
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- PSA: 35.26
Oxazole, 4-(4-methoxyphenyl)-2-phenyl- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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