Cas no 651032-76-7 (1,2,4-Oxadiazole, 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-)
651032-76-7 structure
Product Name:1,2,4-Oxadiazole, 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-
CAS No:651032-76-7
MF:C17H16N2O3
MW:296.320544242859
CID:407443
PubChem ID:716459
Update Time:2025-04-19
1,2,4-Oxadiazole, 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Oxadiazole, 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-
- 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
- Maybridge3_006974
- CCG-24223
- 5-(3,4-dimethoxyphenyl)-3-(m-tolyl)-1,2,4-oxadiazole
- cid_716459
- SMR000072543
- SR-01000622388-2
- IDI1_018361
- HMS2454C16
- BDBM37128
- AKOS000642851
- CHEMBL1520559
- 651032-76-7
- DTXSID60352012
- MLS000063531
- HMS1450M22
-
- Inchi： 1S/C17H16N2O3/c1-11-5-4-6-12(9-11)16-18-17(22-19-16)13-7-8-14(20-2)15(10-13)21-3/h4-10H,1-3H3
- InChI Key： UHSBAAQSHOSGQD-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=C(C=2)OC)OC)=NC(C2=CC=CC(C)=C2)=N1
Computed Properties
- Exact Mass: 296.11618
- Monoisotopic Mass: 296.11609238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 355
- 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: 3.8
- Topological Polar Surface Area: 57.4?2
Experimental Properties
- PSA: 57.38
1,2,4-Oxadiazole, 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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