Chemical ID: 5996905

CCCCC(CC)C(=O)N1CCCC1c2nc(no2)c3cccc(c3)OC
Chemical ID:
5996905
Name [?]:
2-ethyl-1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-hexan-1-one
SMILES [?]:
CCCCC(CC)C(=O)N1CCCC1c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C21H29N3O3/c1-4-6-9-15(5-2)21(25)24-13-8-12-18(24)20-22-19(23-27-20)16-10-7-11-17(14-16)26-3/h7,10-11,14-15,18H,4-6,8-9,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,27,2,6,3,22,12,4,21,23,13,11,25,5,20,24,14,17,15,8,16,18,10,9,26,19/rA:27cCCCCCCCCONCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s10s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.4312
Area:615.095
Solvation:-3.94621
Coulombic:-37.1597
Bond Count [?]
All:29
Single:23
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:371.473
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.05
LogP (Chemaxon):4.28

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Descriptor Annotations

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