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139713-56-7 | Oxazole, 2,2'-(2,5-thiophenediyl)bis[5-(1,1-dimethylethyl)- (9CI)
CAS No: 139713-56-7 Catalog No: AG001BJU MDL No:
Product Description
Catalog Number:
AG001BJU
Chemical Name:
Oxazole, 2,2'-(2,5-thiophenediyl)bis[5-(1,1-dimethylethyl)- (9CI)
CAS Number:
139713-56-7
Molecular Formula:
C18H22N2O2S
Molecular Weight:
330.4445
IUPAC Name:
5-tert-butyl-2-[5-(5-tert-butyl-1,3-oxazol-2-yl)thiophen-2-yl]-1,3-oxazole
InChI:
InChI=1S/C18H22N2O2S/c1-17(2,3)13-9-19-15(21-13)11-7-8-12(23-11)16-20-10-14(22-16)18(4,5)6/h7-10H,1-6H3
InChI Key:
HFMGHNDTSSPVMV-UHFFFAOYSA-N
SMILES:
CC(c1cnc(o1)c1ccc(s1)c1ncc(o1)C(C)(C)C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.446g/mol
Monoisotopic Mass:
330.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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