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Chemical ID: 5988787
Chemical ID:
5988787
Name [?]:
3-chloro-1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)(CCl)C(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C19H24ClN3O3/c1-19(2,12-20)18(24)23-9-5-7-14(11-23)17-21-16(22-26-17)13-6-4-8-15(10-13)25-3/h4,6,8,10,14H,5,7,9,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,26,21,10,20,11,22,9,24,13,4,19,12,23,16,14,6,2,5,15,17,8,7,25,18/E:(1,2)/rA:26cCCCCClCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24ClN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9626 |
Area: | 587.888 |
Solvation: | -3.73465 |
Coulombic: | -36.4027 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 377.865 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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