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Chemical ID: 4399478
Chemical ID:
4399478
Name [?]:
5-(4-methoxyphenyl)-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
SMILES [?]:
CCCOc1ccc(cc1)c2ccc(cc2)c3nc(on3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C24H22N2O3/c1-3-16-28-22-14-8-18(9-15-22)17-4-6-19(7-5-17)23-25-24(29-26-23)20-10-12-21(27-2)13-11-20/h4-15H,3,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,12,16,13,15,7,9,23,27,24,26,6,10,3,11,8,14,22,25,5,17,19,18,21,28,4,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCCCOCCCCCCCCCCCCCNCONCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d17s20;s19;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0235 |
Area: | 646.05 |
Solvation: | -4.12771 |
Coulombic: | -30.6574 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 386.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.65 |
LogP (Chemaxon): | 6.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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