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Chemical ID: 5989540
Chemical ID:
5989540
Name [?]:
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-piperidine-1-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C19H26N4O3/c1-19(2,3)21-18(24)23-11-6-5-10-15(23)17-20-16(22-26-17)13-8-7-9-14(12-13)25-4/h7-9,12,15H,5-6,10-11H2,1-4H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,26,11,10,21,20,22,12,9,24,19,23,13,16,14,6,2,15,5,17,8,7,25,18/E:(1,2,3)/rA:26cCCCCNCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N4O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0743 |
Area: | 560.556 |
Solvation: | -3.93964 |
Coulombic: | -49.8887 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.52 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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