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Chemical ID: 5988626
Chemical ID:
5988626
Name [?]:
(4-methoxyphenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C21H21N3O3/c1-26-18-9-7-17(8-10-18)21(25)24-13-11-16(12-14-24)20-22-19(23-27-20)15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,23,27,5,7,4,8,13,15,12,16,22,14,6,3,19,17,9,18,20,11,10,2,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCOCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7415 |
Area: | 586.219 |
Solvation: | -3.914 |
Coulombic: | -37.908 |
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): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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