Cas no 797802-16-5 (Oxazole,4,5-bis(1-methylethyl)-)
797802-16-5 structure
Product Name:Oxazole,4,5-bis(1-methylethyl)-
CAS No:797802-16-5
MF:C9H15NO
MW:153.221502542496
CID:556701
PubChem ID:23402778
Update Time:2025-04-19
Oxazole,4,5-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Oxazole,4,5-bis(1-methylethyl)-
- Oxazole,4,5-diisopropyl- (5CI)
- SCHEMBL4546372
- 4,5-Diisopropyloxazole
- 797802-16-5
-
- Inchi： 1S/C9H15NO/c1-6(2)8-9(7(3)4)11-5-10-8/h5-7H,1-4H3
- InChI Key： BTTKNSMEFBZWHI-UHFFFAOYSA-N
- SMILES： O1C=NC(=C1C(C)C)C(C)C
Computed Properties
- Exact Mass: 153.115
- Monoisotopic Mass: 153.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 123
- 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: 26A^2
- XLogP3: 2.7
Oxazole,4,5-bis(1-methylethyl)- Related Literature
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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
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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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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