Chemical ID: 6282647

COc1ccc(cc1)c2nnc(o2)NC(=O)c3cccc(c3)Cl
Chemical ID:
6282647
Name [?]:
3-chloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C16H12ClN3O3/c1-22-13-7-5-10(6-8-13)15-19-20-16(23-15)18-14(21)11-3-2-4-12(17)9-11/h2-9H,1H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,5,7,4,8,22,6,17,21,3,15,9,12,23,14,10,11,16,2,13/E:(5,6)(7,8)/rA:23nCOCCCCCCCNNCONCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClN3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.68469
Area:537.727
Solvation:-3.7585
Coulombic:-44.8672
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.738
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):3.13

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