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Chemical ID: 5192944
Chemical ID:
5192944
Name [?]:
[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-phenyl-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4ccccc4
InChi [?]:
InChI=1/C21H21N3O3/c1-26-18-11-5-9-16(13-18)19-22-20(27-23-19)17-10-6-12-24(14-17)21(25)15-7-3-2-4-8-15/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,5,16,23,27,6,15,4,17,8,19,22,7,14,3,9,11,20,10,13,18,21,2,12/E:(3,4)(7,8)/rA:27cCOCCCCCCCNCONCCCCNCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.924 |
Area: | 587.473 |
Solvation: | -3.76287 |
Coulombic: | -38.2004 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.41 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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