Cas no 35629-42-6 (ethyl 2-(acetylamino)-1,3-oxazole-4-carboxylate)
35629-42-6 structure
Product Name:ethyl 2-(acetylamino)-1,3-oxazole-4-carboxylate
CAS No:35629-42-6
MF:C8H10N2O4
MW:198.176002025604
CID:1471550
PubChem ID:215373
Update Time:2025-04-20
ethyl 2-(acetylamino)-1,3-oxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(acetylamino)-1,3-oxazole-4-carboxylate
- ethyl 2-acetamido-1,3-oxazole-4-carboxylate
- ethyl 2-acetamidooxazole-4-carboxylate
- Ethyl 2-acetamido-oxazole-4-carboxylate
- GWMNQIHIUZOPHE-UHFFFAOYSA-N
- 2-Acetylamino-oxazole-4-carboxylic acid ethyl ester
- SCHEMBL15064334
- DA-34370
- 4-Oxazolecarboxylic acid, 2-(acetylamino)-, ethyl ester
- 2-(Acetylamino)-4-oxazolecarboxylic acid ethyl ester
- DTXSID10189113
- 35629-42-6
- BRN 0520304
-
- Inchi： 1S/C8H10N2O4/c1-3-13-7(12)6-4-14-8(10-6)9-5(2)11/h4H,3H2,1-2H3,(H,9,10,11)
- InChI Key： GWMNQIHIUZOPHE-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)OCC)N=C1NC(C)=O
Computed Properties
- Exact Mass: 198.0641
- Monoisotopic Mass: 198.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 231
- 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: 0.4
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- PSA: 81.43
ethyl 2-(acetylamino)-1,3-oxazole-4-carboxylate Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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