Home Oxazoles 10004-44-1
10004-44-1,MFCD00144468
Catalog No.:AA0000KE
3(2H)-Isoxazolone, 5-methyl- | 10004-44-1
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000KE
Chemical Name:
3(2H)-Isoxazolone, 5-methyl-
CAS Number:
10004-44-1
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
MDL Number:
MFCD00144468
IUPAC Name:
5-methyl-1,2-oxazol-3-one
InChI:
InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)
InChI Key:
KGVPNLBXJKTABS-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]o1
EC Number:
233-000-6
UNII:
20T2M875LO
NSC Number:
217971
Properties
Computed Properties
 
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.032g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
3-hydroxy-5-methylisoxazole 
bucide 
5-methylisoxazol-3(2H)-one 
I14-4127 
Z56761467 
InChI=1/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6 
C4H5NO2 
C4-H5-N-O2 
CID24781 
3-Hydroxy-5-methylisoxazole, 97% 5g 
1ST21021 
H1348 
Hydroxyisoxazole 
Tachigaren 
Itachigarden 
5-Methyl-3-hydroxyisoxazole 
3(2H)-Isoxazolone, 5-methyl- 
5-Methyl-isoxazol-3-ol 
5-METHYL-3(2H)-ISOXAZOLONE 
3-Isoxazolol, 5-methyl- 
Bucide 
bucide calcium 
Butsid 
Bucid 
Hydroxyisoxazole (pesticide) 
Hymexazol [BSI:ISO] 
NSC 217971 
SF-6505 
Isoxazole, 3-hydroxy-5-methyl- 
F 319 
UNII-20T2M875LO 
5-Methyl-1,2-oxazol-3-one 
bucide monosodium 
F-319 
EINECS 233-000-6 
5-methyl-1,2-oxazol-3-ol 
5-methyl-2,3-dihydro-1,2-oxazol-3-one 
CHEBI:5827 
20T2M875LO 
MFCD00144468 
NSC217971 
W-108979 
5-methyl-3-isoxazolol 
bucide potassium 
Tachygaren 
PubChem8647 
5-methyl-3-isoxazolone 
5-methylisoxazol-3-one 
5-methylisoxazole-3-ol 
5-Methyl-isoxazol-3-one 
AC1L2NO3 
AC1Q2J8O 
DSSTox_CID_12622 
DSSTox_RID_79009 
Hymexazol 
DSSTox_GSID_32622 
WLN: T5NOJ C1 EQ 
CHEMBL244877 
Jsp000054 
DTXSID3032622 
5-methyl-2-hydroisoxazol-3-one 
CTK8A0902 
KS-00000GEW 
KGVPNLBXJKTABS-UHFFFAOYSA-N 
ACN-S002784 
10004-44-1 
ALBB-022606 
ZINC2030961 
ZX-AT001394 
5-methyl-1,2-oxazol-3(2H)-one 
Tox21_300856 
BBL033480 
OR2998 
SBB055813 
STL313888 
AKOS001021985 
3-Hydroxy-5-methylisoxazole 
AKOS003620478 
3-Hydroxy-5-methylisoxazole, >=90% 
CS-W011330 
FCH1112473 
MCULE-4569959155 
NSC-217971 
PS-9334 
Hymexazol?3-hydroxy-5-methyl-isoxazol, 
NCGC00248192-01 
NCGC00254759-01 
Hymexazole 
3(2H)-Isoxazolone, 5-methyl- (8CI) 
AJ-32902 
AK158281 
BP-21478 
LS-86685 
NCI60_001815 
S262 
SC-00002 
AB0219680 
AX8134244 
5-Methylisoxazol-3-ol 
CAS-10004-44-1 
ST2406323 
BB 0218281 
FT-0636609 
EN300-07726 
UPCMLD00X10004-44-1:001 
C11103 
Z-1434 
004H441 
A800021 
Literature

Title: Metabolites from Aspergillus fumigatus, an endophytic fungus associated with Melia azedarach, and their antifungal, antifeedant, and toxic activities.

Journal: Journal of agricultural and food chemistry 20120404

Title: Synthesis and antifungal activity of novel sulfone derivatives containing 1,3,4-oxadiazole moieties.

Journal: Molecules (Basel, Switzerland) 20111101

Title: Synthesis and antifungal activities of novel 5,6-dihydro-indolo[1,2-a]quinoxaline derivatives.

Journal: European journal of medicinal chemistry 20110501

Title: Antifungal agents. Part 5: synthesis and antifungal activities of aminoguanidine derivatives of N-arylsulfonyl-3-acylindoles.

Journal: Bioorganic & medicinal chemistry letters 20101215

Title: Synthesis and antifungal activity of novel sulfoxide derivatives containing trimethoxyphenyl substituted 1,3,4-thiadiazole and 1,3,4-oxadiazole moiety.

Journal: Bioorganic & medicinal chemistry 20080401

Title: Synthesis and antifungal activities of 5-(3,4,5-trimethoxyphenyl)-2-sulfonyl-1,3,4-thiadiazole and 5-(3,4,5-trimethoxyphenyl)-2-sulfonyl-1,3,4-oxadiazole derivatives.

Journal: Bioorganic & medicinal chemistry 20070615

Title: Synthesis and antifungal activity of novel s-substituted 6-fluoro-4-alkyl(aryl)thioquinazoline derivatives.

Journal: Bioorganic & medicinal chemistry 20070601

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