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Chemical ID: 7097826
Chemical ID:
7097826
Name [?]:
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-methyl-butan-1-one
SMILES [?]:
CCC(C)C(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C19H25N3O3/c1-4-13(2)19(23)22-10-6-8-15(12-22)18-20-17(21-25-18)14-7-5-9-16(11-14)24-3/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,25,2,20,9,19,10,21,8,23,12,3,18,11,22,15,13,5,14,16,7,6,24,17/rA:25cCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s3;d5;s5;s7;s8;s9;s10;s7s11;s11;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O3 |
All Atoms: | 50 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.5333 |
Area: | 571.854 |
Solvation: | -3.76304 |
Coulombic: | -35.7902 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 343.42 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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