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1-{3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]benzoyl}-4-ethylpiperazine

1-{3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]benzoyl}-4-ethylpiperazine

CAS: 1119452-09-3

Formula: C16H19ClN4O2

SMILES: CCN1CCN(CC1)C(=O)C1=CC(=CC=C1)C1=NOC(CCl)=N1

IUPAC: 1-{3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]benzoyl}-4-ethylpiperazine

InChI: InChI=1S/C16H19ClN4O2/c1-2-20-6-8-21(9-7-20)16(22)13-5-3-4-12(10-13)15-18-14(11-17)23-19-15/h3-5,10H,2,6-9,11H2,1H3

Composition: C (57.40%), H (5.72%), Cl (10.59%), N (16.73%), O (9.56%)

Molar Mass: 334.8

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 334.1196536
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey CIYGHNJXAPDTQW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.95
Topological Polar Surface Area 62.47
Polarizability 34.09
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1119452-09-3 $336.89$336.89
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