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Chemical ID: 5988648
Chemical ID:
5988648
Name [?]:
(4-pentylphenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C25H29N3O2/c1-2-3-5-8-19-11-13-22(14-12-19)25(29)28-17-15-21(16-18-28)24-26-23(27-30-24)20-9-6-4-7-10-20/h4,6-7,9-14,21H,2-3,5,8,15-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,28,4,27,29,5,26,30,7,11,8,10,16,18,15,19,6,25,17,9,22,20,12,21,23,14,13,24/E:(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:30nCCCCCCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s17;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29N3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2898 |
Area: | 674.184 |
Solvation: | -2.56485 |
Coulombic: | -32.9362 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 403.517 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.56 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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