2-{[5-(2,6-dimethylphenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-iodophenyl)acetamide

2-{[5-(2,6-dimethylphenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-iodophenyl)acetamide

Formula: C19H18IN3O3S

SMILES: CC1=CC=CC(C)=C1OCC1=NN=C(O1)SCC(=O)NC1=CC=C(I)C=C1

IUPAC: 2-({5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-iodophenyl)acetamide

InChI: InChI=1S/C19H18IN3O3S/c1-12-4-3-5-13(2)18(12)25-10-17-22-23-19(26-17)27-11-16(24)21-15-8-6-14(20)7-9-15/h3-9H,10-11H2,1-2H3,(H,21,24)

Composition: C (46.07%), H (3.66%), I (25.62%), N (8.48%), O (9.69%), S (6.47%)

Molar Mass: 495.34

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	495.01136
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PQTDWCRIEVMJMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.57
Topological Polar Surface Area	77.25
Polarizability	43.79
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18IN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00