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N-[(3,5-difluorophenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

Formula: C22H22F2N4O2

SMILES: FC1=CC(CNC(=O)C2CCN(CC3=NC(=NO3)C3=CC=CC=C3)CC2)=CC(F)=C1

IUPAC: N-[(3,5-difluorophenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

InChI: InChI=1S/C22H22F2N4O2/c23-18-10-15(11-19(24)12-18)13-25-22(29)17-6-8-28(9-7-17)14-20-26-21(27-30-20)16-4-2-1-3-5-16/h1-5,10-12,17H,6-9,13-14H2,(H,25,29)

Composition: C (64.07%), H (5.38%), F (9.21%), N (13.58%), O (7.76%)

Molar Mass: 412.441

Atom Count: 52

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 412.17108229
Formal Charge 0
FSP3 0.32
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LHNUADYNSSIQKE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.1
Topological Polar Surface Area 71.26
Polarizability 41.4
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H22F2N4O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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