N-tert-butyl-3-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide

N-tert-butyl-3-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide

Formula: C16H21N3O2S

SMILES: CC1=CC=CC=C1C1=NN=C(O1)SCCC(=O)NC(C)(C)C

IUPAC: N-tert-butyl-3-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide

InChI: InChI=1S/C16H21N3O2S/c1-11-7-5-6-8-12(11)14-18-19-15(21-14)22-10-9-13(20)17-16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,20)

Composition: C (60.16%), H (6.63%), N (13.16%), O (10.02%), S (10.04%)

Molar Mass: 319.42

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	319.135448102
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ADHDQHLPNFBQSS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.72
Topological Polar Surface Area	68.02
Polarizability	34.66
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H21N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00