MLS000075940,ZINC00794564,BAS 05494764,SMR000013371,N-(2-Methoxy-pheny

[Synonyms]
MLS000075940
ZINC00794564
BAS 05494764
SMR000013371
N-(2-Methoxy-phenyl)-2-(5-methyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide

[Structure]

[ Properties Computed from Structure]

Molecular Weight	279.31492 [g/mol]
Molecular Formula	C12H13N3O3S
XLogP	2.3
H-Bond Donor	1
H-Bond Acceptor	5
Rotatable Bond Count	5
Tautomer Count	2
Exact Mass	279.067762
MonoIsotopic Mass	279.067762
Topological Polar Surface Area	77.3
Heavy Atom Count	19
Formal Charge	0
Complexity	306
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
Canonical SMILES: CC1=NN=C(O1)SCC(=O)NC2=CC=CC=C2OC
InChI: InChI=1/C12H13N3O3S/c1-8-14-15-12(18-8)19-7-11(16)13-9-5-3-4-6-10(9)17-
2/h3-6H,7H2,1-2H3,(H,13,16)/f/h13H