Cas no 53833-29-7 (OXAZOLE, 5-ETHYL-2-METHYL-)
OXAZOLE, 5-ETHYL-2-METHYL- structure
Product Name:OXAZOLE, 5-ETHYL-2-METHYL-
CAS No:53833-29-7
MF:C6H9NO
MW:111.141761541367
CID:3476914
PubChem ID:528407
Update Time:2025-04-21
OXAZOLE, 5-ETHYL-2-METHYL- Chemical and Physical Properties
Names and Identifiers
-
- OXAZOLE, 5-ETHYL-2-METHYL-
- Oxazole, 2-methyl-5-ethyl
- 2-Methyl-5-athyloxazol
- CHEBI:179312
- KVHQALCDTOJIBP-UHFFFAOYSA-N
- 53833-29-7
- UNII-WQJ2EAZ644
- SCHEMBL2629342
- DTXSID501313942
- WQJ2EAZ644
- 5-ethyl-2-methyl-1,3-oxazole
- Oxazole, 5-ethyl-2-methyl
- 5-Ethyl-2-methyloxazole
-
- Inchi： 1S/C6H9NO/c1-3-6-4-7-5(2)8-6/h4H,3H2,1-2H3
- InChI Key： KVHQALCDTOJIBP-UHFFFAOYSA-N
- SMILES： O1C(C)=NC=C1CC
Computed Properties
- Exact Mass: 111.068413911g/mol
- Monoisotopic Mass: 111.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 74.9
- 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: 1.6
- Topological Polar Surface Area: 26?2
OXAZOLE, 5-ETHYL-2-METHYL- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
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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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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