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Chemical ID: 5995065
Chemical ID:
5995065
Name [?]:
ethyl 2-[[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylamino]acetate
SMILES [?]:
CCOC(=O)CNC(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C19H24N4O5/c1-3-27-16(24)11-20-19(25)23-9-5-7-14(12-23)18-21-17(22-28-18)13-6-4-8-15(10-13)26-2/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,23,12,22,13,24,11,26,6,15,21,14,25,4,18,16,8,7,17,19,10,5,9,27,3,20/rA:28cCCOCOCNCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N4O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4401 |
Area: | 638.859 |
Solvation: | -4.53135 |
Coulombic: | -67.9964 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 388.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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