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867329-92-8 | 4-{5-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-3-yl}phenol
CAS No: 867329-92-8 Catalog No: AG019OLF MDL No:MFCD07339529
Product Description
Catalog Number:
AG019OLF
Chemical Name:
4-{5-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-3-yl}phenol
CAS Number:
867329-92-8
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
MDL Number:
MFCD07339529
IUPAC Name:
4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
InChI:
InChI=1S/C13H11N3O2S/c1-8-7-19-12(14-8)6-11-15-13(16-18-11)9-2-4-10(17)5-3-9/h2-5,7,17H,6H2,1H3
InChI Key:
BYQSWWUCVJLZGT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1noc(n1)Cc1scc(n1)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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