Cas no 53833-31-1 (5-Methyl-2-propyloxazole)
5-Methyl-2-propyloxazole structure
Product Name:5-Methyl-2-propyloxazole
CAS No:53833-31-1
MF:C7H11NO
MW:125.168341875076
CID:4730687
PubChem ID:529034
Update Time:2024-03-01
5-Methyl-2-propyloxazole Chemical and Physical Properties
Names and Identifiers
-
- Oxazole, 5-methyl-2-propyl
- 5-Methyl-2-propyloxazole
- Oxazole, 5-methyl-2-propyl-
- 5-methyl-2-propyl-1,3-oxazole
- 2-n-Propyl-5-methyloxazol
- NZRDFBNIWMSPHP-UHFFFAOYSA-N
-
- Inchi： 1S/C7H11NO/c1-3-4-7-8-5-6(2)9-7/h5H,3-4H2,1-2H3
- InChI Key： NZRDFBNIWMSPHP-UHFFFAOYSA-N
- SMILES： O1C(C)=CN=C1CCC
Computed Properties
- Exact Mass: 125.084063974g/mol
- Monoisotopic Mass: 125.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 85
- 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: 26
- XLogP3: 1.9
5-Methyl-2-propyloxazole Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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