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Chemical ID: 5988481
Chemical ID:
5988481
Name [?]:
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3,3-dimethyl-butan-1-one
SMILES [?]:
CC(C)(C)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H24ClN3O2/c1-19(2,3)12-16(24)23-11-5-4-6-15(23)18-21-17(22-25-18)13-7-9-14(20)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,11,10,12,20,24,21,23,9,5,19,22,13,6,16,14,2,25,15,17,8,7,18/E:(1,2,3)(7,8)(9,10)/rA:25cCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3387 |
Area: | 558.49 |
Solvation: | -2.62351 |
Coulombic: | -29.9611 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.866 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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