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Chemical ID: 5996649
Chemical ID:
5996649
Name [?]:
1-naphthyl-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4cccc5c4cccc5
InChi [?]:
InChI=1/C24H21N3O2/c1-16-11-13-18(14-12-16)22-25-23(29-26-22)21-10-5-15-27(21)24(28)20-9-4-7-17-6-2-3-8-19(17)20/h2-4,6-9,11-14,21H,5,10,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,22,15,29,23,26,21,14,3,7,4,6,16,2,24,5,25,20,13,8,10,18,9,12,17,19,11/E:(11,12)(13,14)/rA:29cCCCCCCCCNCONCCCCNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s13s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2294 |
Area: | 596.627 |
Solvation: | -2.6863 |
Coulombic: | -33.207 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 383.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.73 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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