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4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-cyclohexyl-N-methylbenzamide

4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-cyclohexyl-N-methylbenzamide

CAS: 1119449-62-5

Formula: C17H20ClN3O2

SMILES: CN(C1CCCCC1)C(=O)C1=CC=C(C=C1)C1=NOC(CCl)=N1

IUPAC: 4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-cyclohexyl-N-methylbenzamide

InChI: InChI=1S/C17H20ClN3O2/c1-21(14-5-3-2-4-6-14)17(22)13-9-7-12(8-10-13)16-19-15(11-18)23-20-16/h7-10,14H,2-6,11H2,1H3

Composition: C (61.17%), H (6.04%), Cl (10.62%), N (12.59%), O (9.59%)

Molar Mass: 333.82

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 333.1244046
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VSOMEIXMMUEPTA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.17
Topological Polar Surface Area 59.23
Polarizability 34.39
Ring Count 3
Rotatable Bond Count 4

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95% <2 Days 1119449-62-5 $382.88-$449.19$382.88$449.19
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