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Chemical ID: 5996788
Chemical ID:
5996788
Name [?]:
(2,4-dichlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-methanone
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C19H15Cl2N3O2/c20-13-8-9-14(15(21)11-13)19(25)24-10-4-7-16(24)18-22-17(23-26-18)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16H,4,7,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,21,20,15,23,4,22,19,24,12,7,9,17,26,25,8,11,16,18,10/E:(2,3)(5,6)/rA:26cCCCCCCCNCONCCCCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s12s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15Cl2N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7257 |
Area: | 582.531 |
Solvation: | -2.83762 |
Coulombic: | -31.9499 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.247 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.27 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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