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N-benzyl-4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-benzyl-4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]benzamide

CAS: 1119450-84-8

Formula: C17H14ClN3O2

SMILES: ClCC1=NC(=NO1)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1

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

InChI: InChI=1S/C17H14ClN3O2/c18-10-15-20-16(21-23-15)13-6-8-14(9-7-13)17(22)19-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)

Composition: C (62.30%), H (4.31%), Cl (10.82%), N (12.82%), O (9.76%)

Molar Mass: 327.77

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 327.0774544
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DXJKTWHZURGGAT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.87
Topological Polar Surface Area 68.02
Polarizability 33.65
Ring Count 3
Rotatable Bond Count 5

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95% <2 Days 1119450-84-8 $336.89$336.89
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