Chemical ID: 5988705

COc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)F
Chemical ID:
5988705
Name [?]:
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(4-methoxyphenyl)-methanone
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)F
InChi [?]:
InChI=1/C21H20FN3O3/c1-27-17-11-7-15(8-12-17)21(26)25-13-3-2-4-18(25)20-23-19(24-28-20)14-5-9-16(22)10-6-14/h5-12,18H,2-4,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,23,27,5,7,24,26,4,8,12,22,6,25,3,16,19,17,9,28,18,20,11,10,2,21/E:(5,6)(7,8)(9,10)(11,12)/rA:28cCOCCCCCCCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;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:9.29268
Area:568.256
Solvation:-4.91371
Coulombic:-41.1355
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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