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Chemical ID: 5988158
Chemical ID:
5988158
Name [?]:
1-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pentan-1-one
SMILES [?]:
CCCCC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)C
InChi [?]:
InChI=1/C19H25N3O2/c1-3-4-8-17(23)22-13-6-5-7-16(22)19-20-18(21-24-19)15-11-9-14(2)10-12-15/h9-12,16H,3-8,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,3,10,9,11,4,20,22,19,23,8,21,18,12,5,15,13,14,16,7,6,17/E:(9,10)(11,12)/rA:24cCCCCCONCCCCCCNCNOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8513 |
Area: | 546.435 |
Solvation: | -2.80961 |
Coulombic: | -29.4267 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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