Cas no 32954-07-7 (N-(Aminocarbonyl)-5-methyl-3-isoxazolecarboxamide)
32954-07-7 structure
Product Name:N-(Aminocarbonyl)-5-methyl-3-isoxazolecarboxamide
CAS No:32954-07-7
MF:C6H7N3O3
MW:169.138080835342
CID:917433
PubChem ID:208766
Update Time:2025-04-19
N-(Aminocarbonyl)-5-methyl-3-isoxazolecarboxamide Chemical and Physical Properties
Names and Identifiers
-
- N-(Aminocarbonyl)-5-methyl-3-isoxazolecarboxamide
- N-carbamoyl-5-methyl-1,2-oxazole-3-carboxamide
- AKOS006278756
- BRN 0978851
- SCHEMBL11723150
- 3-Isoxazolecarboxamide, N-(aminocarbonyl)-5-methyl-
- DTXSID30186604
- N-(5-Methyl-3-isoxazolylcarbonyl)urea
- 32954-07-7
-
- Inchi： 1S/C6H7N3O3/c1-3-2-4(9-12-3)5(10)8-6(7)11/h2H,1H3,(H3,7,8,10,11)
- InChI Key： LQXUSWLJCKWURD-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C(NC(N)=O)=O)=N1
Computed Properties
- Exact Mass: 169.04881
- Monoisotopic Mass: 169.04874109g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 206
- 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: 0.2
- Topological Polar Surface Area: 98.2?2
Experimental Properties
- PSA: 98.22
N-(Aminocarbonyl)-5-methyl-3-isoxazolecarboxamide Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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