Chemical ID: 5988740

COc1ccccc1C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)F
Chemical ID:
5988740
Name [?]:
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(2-methoxyphenyl)-methanone
SMILES [?]:
COc1ccccc1C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)F
InChi [?]:
InChI=1/C21H20FN3O3/c1-27-18-8-3-2-6-16(18)21(26)25-13-5-4-7-17(25)20-23-19(24-28-20)14-9-11-15(22)12-10-14/h2-3,6,8-12,17H,4-5,7,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,14,13,7,15,4,23,27,24,26,12,22,25,8,16,3,19,17,9,28,18,20,11,10,2,21/E:(9,10)(11,12)/rA:28cCOCCCCCCCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20FN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.20505
Area:561.712
Solvation:-5.83776
Coulombic:-40.234
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.4
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.46
LogP (Chemaxon):3.77

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