Cas no 24667-04-7 (Oxazole, 4-methyl-2-propyl-)
Oxazole, 4-methyl-2-propyl- structure
Product Name:Oxazole, 4-methyl-2-propyl-
CAS No:24667-04-7
MF:C7H11NO
MW:125.168341875076
CID:1417946
PubChem ID:528409
Update Time:2025-04-20
Oxazole, 4-methyl-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxazole, 4-methyl-2-propyl-
- 4-methyl-2-propyl-1,3-oxazole
- DTXSID60336019
- BUOGNIOVIYHMFO-UHFFFAOYSA-N
- CHEBI:193624
- 4-Methyl-2-propyloxazole
- 24667-04-7
- Oxazole, 4-methyl-2-propyl
- 2-Propyl-4-methyloxazole
- SCHEMBL13827906
-
- Inchi： 1S/C7H11NO/c1-3-4-7-8-6(2)5-9-7/h5H,3-4H2,1-2H3
- InChI Key： BUOGNIOVIYHMFO-UHFFFAOYSA-N
- SMILES： O1C=C(C)N=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-2-propyl- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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