Chemical ID: 6282667

COc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)C#N
Chemical ID:
6282667
Name [?]:
4-cyano-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)C#N
InChi [?]:
InChI=1/C17H12N4O3/c1-23-14-8-6-13(7-9-14)16-20-21-17(24-16)19-15(22)12-4-2-11(10-18)3-5-12/h2-9H,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,21,18,22,5,7,4,8,23,20,17,6,3,15,9,12,24,14,10,11,16,2,13/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCOCCCCCCCNNCONCOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N4O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.37232
Area:546.509
Solvation:-4.2904
Coulombic:-47.4001
Bond Count [?]
All:26
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.302
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.99
LogP (Chemaxon):2.43

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