Cas no 501902-13-2 (3-(4-BENZYL-PHENYL)-ISOXAZOL-5-YLAMINE)
501902-13-2 structure
Product Name:3-(4-BENZYL-PHENYL)-ISOXAZOL-5-YLAMINE
CAS No:501902-13-2
MF:C16H14N2O
MW:250.295163631439
CID:933357
PubChem ID:3733964
Update Time:2025-04-19
3-(4-BENZYL-PHENYL)-ISOXAZOL-5-YLAMINE Chemical and Physical Properties
Names and Identifiers
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- 3-(4-BENZYL-PHENYL)-ISOXAZOL-5-YLAMINE
- 3-(4-Benzylphenyl)-1,2-oxazol-5-amine
- 501902-13-2
- DTXSID10395691
- 3-(4-Benzylphenyl)isoxazol-5-amine
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- MDL： MFCD07383030
- Inchi： 1S/C16H14N2O/c17-16-11-15(18-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10,17H2
- InChI Key： QBKFUOUYAPZAOP-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC(=CC=2)CC2C=CC=CC=2)=N1)N
Computed Properties
- Exact Mass: 250.110613074g/mol
- Monoisotopic Mass: 250.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- 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: 52?2
3-(4-BENZYL-PHENYL)-ISOXAZOL-5-YLAMINE Related Literature
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1. 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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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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