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Chemical ID: 5996771
Chemical ID:
5996771
Name [?]:
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]heptan-1-one
SMILES [?]:
CCCCCCC(=O)N1CCCC1c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H24ClN3O2/c1-2-3-4-5-8-17(24)23-13-6-7-16(23)19-21-18(22-25-19)14-9-11-15(20)12-10-14/h9-12,16H,2-8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,11,12,6,20,24,21,23,10,19,22,13,7,16,14,25,15,17,9,8,18/E:(9,10)(11,12)/rA:25cCCCCCCCONCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5323 |
Area: | 608.542 |
Solvation: | -2.68125 |
Coulombic: | -30.4207 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 361.866 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.46 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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