Cas no 252662-41-2 (2-Oxazolecarboxaldehyde,5-(1,1-dimethylethyl)-)
252662-41-2 structure
Product Name:2-Oxazolecarboxaldehyde,5-(1,1-dimethylethyl)-
CAS No:252662-41-2
MF:C8H11NO2
MW:153.178442239761
CID:246547
PubChem ID:22731086
Update Time:2025-04-19
2-Oxazolecarboxaldehyde,5-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxazolecarboxaldehyde,5-(1,1-dimethylethyl)-
- 2-Oxazolecarboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)
- 5-tert-butyloxazole-2-carbaldehyde
- 2-formyl-5-t-butyloxazole
- 5-(tert-Butyl)oxazole-2-carbaldehyde
- PXCITRFXUWRCHZ-UHFFFAOYSA-N
- SCHEMBL5727005
- AKOS006285612
- 252662-41-2
-
- Inchi： 1S/C8H11NO2/c1-8(2,3)6-4-9-7(5-10)11-6/h4-5H,1-3H3
- InChI Key： PXCITRFXUWRCHZ-UHFFFAOYSA-N
- SMILES： O1C(C=O)=NC=C1C(C)(C)C
Computed Properties
- Exact Mass: 153.07903
- Monoisotopic Mass: 153.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 151
- 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
- Topological Polar Surface Area: 43.1A^2
- XLogP3: 1.8
Experimental Properties
- PSA: 43.1
2-Oxazolecarboxaldehyde,5-(1,1-dimethylethyl)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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