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Home Other Building Blocks Oxazole, 2,4,5-trimethyl-

Oxazole, 2,4,5-trimethyl-

CAS No.:
20662-84-4
Catalog Number:
AG002ILI
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
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Product Description
Catalog Number:
AG002ILI
Chemical Name:
Oxazole, 2,4,5-trimethyl-
CAS Number:
20662-84-4
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD00005308
IUPAC Name:
2,4,5-trimethyl-1,3-oxazole
InChI:
InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
InChI Key:
ZRLDBDZSLLGDOX-UHFFFAOYSA-N
SMILES:
Cc1oc(c(n1)C)C
EC Number:
243-952-4
UNII:
B04PF51WXI
FEMA Number:
4394
Properties
Complexity:
84.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
The cysteine reaction with diacetyl under wine-like conditions: proposed mechanisms for mixed origins of 2-methylthiazole, 2-methyl-3-thiazoline, 2-methylthiazolidine, and 2,4,5-trimethyloxazole. Journal of food science 20110801
4-[(2,4-Dimethyl-1,3-oxazol-5-yl)meth-yl]-4-hydr-oxy-2-methyl-isoquinoline-1,3(2H,4H)-dione. Acta crystallographica. Section E, Structure reports online 20100401
Properties