Cas no 27744-95-2 (Oxazole,4-methyl-5-propyl-)
Oxazole,4-methyl-5-propyl- structure
Product Name:Oxazole,4-methyl-5-propyl-
CAS No:27744-95-2
MF:C7H11NO
MW:125.168341875076
CID:267139
PubChem ID:214134
Update Time:2025-04-19
Oxazole,4-methyl-5-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxazole,4-methyl-5-propyl-
- 4-methyl-5-propyl-1,3-oxazole
- Oxazole, 4-methyl-5-propyl-
- 4-Methyl-5-propyloxazole
- 4-methyl-5-propyl oxazole
- DTXSID20182094
- 27744-95-2
- BRN 0970748
-
- Inchi： 1S/C7H11NO/c1-3-4-7-6(2)8-5-9-7/h5H,3-4H2,1-2H3
- InChI Key： OEDUIZIHFYJRDQ-UHFFFAOYSA-N
- SMILES： O1C=NC(C)=C1CCC
Computed Properties
- Exact Mass: 125.08413
- 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
- XLogP3: 1.9
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Oxazole,4-methyl-5-propyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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