Home Carboxys ethyl 5-(1,2-thiazol-5-yl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(1,2-thiazol-5-yl)-1,3,4-oxadiazole-2-carboxylate

CAS No.:
2137530-47-1
Catalog Number:
AG01EIJM
Molecular Formula:
C8H7N3O3S
Molecular Weight:
225.2245
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Product Description
Catalog Number:
AG01EIJM
Chemical Name:
ethyl 5-(1,2-thiazol-5-yl)-1,3,4-oxadiazole-2-carboxylate
CAS Number:
2137530-47-1
Molecular Formula:
C8H7N3O3S
Molecular Weight:
225.2245
MDL Number:
MFCD31449569
IUPAC Name:
ethyl 5-(1,2-thiazol-5-yl)-1,3,4-oxadiazole-2-carboxylate
InChI:
InChI=1S/C8H7N3O3S/c1-2-13-8(12)7-11-10-6(14-7)5-3-4-9-15-5/h3-4H,2H2,1H3
InChI Key:
ISQBTLVVEKYYKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(o1)c1ccns1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.021g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.222g/mol
Monoisotopic Mass:
225.021g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties