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3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride

3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride

CAS: 1349718-79-1

Formula: C13H14ClF2N3O

SMILES: Cl.FC1=CC=CC(F)=C1C1=NOC(=N1)C1CCCNC1

IUPAC: 3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride

InChI: InChI=1/C13H13F2N3O.ClH/c14-9-4-1-5-10(15)11(9)12-17-13(19-18-12)8-3-2-6-16-7-8;/h1,4-5,8,16H,2-3,6-7H2;1H

Composition: C (51.75%), H (4.68%), Cl (11.75%), F (12.59%), N (13.93%), O (5.30%)

Molar Mass: 301.72

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 301.0793461
Formal Charge 0
FSP3 0.38
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UUKCAAHQRNJSLN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.24
Topological Polar Surface Area 50.95
Polarizability 25.06
Ring Count 3
Rotatable Bond Count 2

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