4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy}-3-ethoxybenzonitrile

4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy}-3-ethoxybenzonitrile

Formula: C18H14BrN3O3

SMILES: CCOC1=CC(=CC=C1OCC1=NC(=NO1)C1=CC=C(Br)C=C1)C#N

IUPAC: 4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy}-3-ethoxybenzonitrile

InChI: InChI=1S/C18H14BrN3O3/c1-2-23-16-9-12(10-20)3-8-15(16)24-11-17-21-18(22-25-17)13-4-6-14(19)7-5-13/h3-9H,2,11H2,1H3

Composition: C (54.02%), H (3.53%), Br (19.96%), N (10.50%), O (11.99%)

Molar Mass: 400.232

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	399.021854
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	ZMFJHTYCWMPEAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.04
Topological Polar Surface Area	81.17
Polarizability	36.81
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H14BrN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00