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1217100-04-3 | 5-[5-(2-Methyl-1,3-thiazol-4-yl)isoxazol-3-yl]-1,3,4-oxadiazol-2(3H)-one
CAS No: 1217100-04-3 Catalog No: AG01F4OP MDL No:
Product Description
Catalog Number:
AG01F4OP
Chemical Name:
5-[5-(2-Methyl-1,3-thiazol-4-yl)isoxazol-3-yl]-1,3,4-oxadiazol-2(3H)-one
CAS Number:
1217100-04-3
Molecular Formula:
C9H6N4O3S
Molecular Weight:
250.2339
IUPAC Name:
5-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C9H6N4O3S/c1-4-10-6(3-17-4)7-2-5(13-16-7)8-11-12-9(14)15-8/h2-3H,1H3,(H,12,14)
InChI Key:
XQAIGOBGEQTVDN-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1onc(c1)c1n[nH]c(=O)o1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.232g/mol
Monoisotopic Mass:
250.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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