3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid

3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid

Formula: C15H11N3O3S

SMILES: OC(=O)C1=CC=CC(CSC2=NN=C(O2)C2=CC=NC=C2)=C1

IUPAC: 3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid

InChI: InChI=1S/C15H11N3O3S/c19-14(20)12-3-1-2-10(8-12)9-22-15-18-17-13(21-15)11-4-6-16-7-5-11/h1-8H,9H2,(H,19,20)

Composition: C (57.50%), H (3.54%), N (13.41%), O (15.32%), S (10.23%)

Molar Mass: 313.33

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	313.0521124
Formal Charge	0
FSP3	0.07
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YGJKMSYPNYBKEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.08
Topological Polar Surface Area	89.11
Polarizability	31.69
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H11N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00