Chemical ID: 5988264

CC(C)(C)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)OC
Chemical ID:
5988264
Name [?]:
1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3,3-dimethyl-butan-1-one
SMILES [?]:
CC(C)(C)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H27N3O3/c1-20(2,3)13-17(24)23-12-6-5-7-16(23)19-21-18(22-26-19)14-8-10-15(25-4)11-9-14/h8-11,16H,5-7,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,26,11,10,12,20,24,21,23,9,5,19,22,13,6,16,14,2,15,17,8,7,25,18/E:(1,2,3)(8,9)(10,11)/rA:26cCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.0563
Area:560.41
Solvation:-3.95397
Coulombic:-36.0512
Bond Count [?]
All:28
Single:22
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.447
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.52
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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