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Chemical ID: 5988251
Chemical ID:
5988251
Name [?]:
1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)(C)C(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H25N3O3/c1-19(2,3)18(23)22-12-6-5-7-15(22)17-20-16(21-25-17)13-8-10-14(24-4)11-9-13/h8-11,15H,5-7,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,25,10,9,11,19,23,20,22,8,18,21,12,15,13,5,2,14,16,7,6,24,17/E:(1,2,3)(8,9)(10,11)/rA:25cCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.39173 |
Area: | 535.932 |
Solvation: | -4.00658 |
Coulombic: | -36.1865 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 343.42 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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