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4-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid

4-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid

Formula: C19H16ClN3O4

SMILES: OC(=O)C1=CC=C(NC(=O)CCCC2=NC(=NO2)C2=CC=C(Cl)C=C2)C=C1

IUPAC: 4-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}benzoic acid

InChI: InChI=1S/C19H16ClN3O4/c20-14-8-4-12(5-9-14)18-22-17(27-23-18)3-1-2-16(24)21-15-10-6-13(7-11-15)19(25)26/h4-11H,1-3H2,(H,21,24)(H,25,26)

Composition: C (59.15%), H (4.18%), Cl (9.19%), N (10.89%), O (16.59%)

Molar Mass: 385.8

Atom Count: 43

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 385.0829337
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XJMGUUGYZZWXLR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.36
Topological Polar Surface Area 105.32
Polarizability 38.12
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H16ClN3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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