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tert-butyl 4-[5-(1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

CAS: 2059028-34-9

Formula: C15H21N5O3

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C1=NOC(=N1)C1=NNC=C1

IUPAC: tert-butyl 4-[5-(1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

InChI: InChI=1S/C15H21N5O3/c1-15(2,3)22-14(21)20-8-5-10(6-9-20)12-17-13(23-19-12)11-4-7-16-18-11/h4,7,10H,5-6,8-9H2,1-3H3,(H,16,18)

Composition: C (56.41%), H (6.63%), N (21.93%), O (15.03%)

Molar Mass: 319.365

Atom Count: 44

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 319.164439556
Formal Charge 0
FSP3 0.6
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XQFBGUPACRLPSM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.14
Topological Polar Surface Area 97.14
Polarizability 32.2
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 2059028-34-9 $51.35-$86.31$51.35$63.37$86.31
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