Home Oxazoles 1003-52-7
1003-52-7,MFCD01111976
Catalog No.:AA0001FO
1003-52-7 | 4-Methyl-1,3-oxazole-5-carbonitrile
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250mg
95%
1 week  
$402.00   $282.00
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Technical Information
Catalog Number:
AA0001FO
Chemical Name:
4-Methyl-1,3-oxazole-5-carbonitrile
CAS Number:
1003-52-7
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD01111976
IUPAC Name:
4-methyl-1,3-oxazole-5-carbonitrile
InChI:
InChI=1S/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3
InChI Key:
JZSLPQXOLZCAME-UHFFFAOYSA-N
SMILES:
Cc1ncoc1C#N
EC Number:
213-709-7
Properties
Computed Properties
 
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.1g/mol
Monoisotopic Mass:
108.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
1003-52-7 
4-Methyl-1,3-oxazole-5-carbonitrile 
EC 213-709-7 
AC1L2E6N 
4-Methyl-5-oxazolecarbonitrile 
SCHEMBL2140967 
5-Cyano-4-methyl-1,3-oxazole 
CTK3J8832 
KS-00002AWW 
DTXSID90143117 
Oxazole-5-carbonitrile, 4-methyl- 
ZINC2004545 
4-Methyloxazole-5-carbonitrile 
AKOS004906825 
PS-9293 
4-Methyl-1,3-oxazole-5-carbonitrile # 
CJ-30987 
K-0170 
Z2186895386 
C5-H4-N2-O 
CID70480 
AR-1G9271 
ZINC02004545 
5-Oxazolecarbonitrile, 4-methyl- 
2-amino-6-chloro-5-nitropyrimidin-4-ol 
2-Amino-4-chloro-6-hydroxy-5-nitropyrimidine 
A16228 
1007-99-4 
5-Oxazolecarbonitrile,4-methyl- 
JZSLPQXOLZCAME-UHFFFAOYSA-N 
MFCD01111976 
EINECS 213-709-7 
4-methyl-5-cyanooxazole 
AC1Q4RKY 
Literature
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