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Chemical ID: 5996886
Chemical ID:
5996886
Name [?]:
(4-fluorophenyl)-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C20H18FN3O3/c1-26-16-5-2-4-14(12-16)18-22-19(27-23-18)17-6-3-11-24(17)20(25)13-7-9-15(21)10-8-13/h2,4-5,7-10,12,17H,3,6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,16,6,4,15,22,26,23,25,17,8,21,7,24,3,14,9,11,19,27,10,13,18,20,2,12/E:(7,8)(9,10)/rA:27cCOCCCCCCCNCONCCCCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s14s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18FN3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.3139 |
Area: | 567.767 |
Solvation: | -4.88027 |
Coulombic: | -41.1945 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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