Chemical ID: 5192831

CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)C(C)(C)C
Chemical ID:
5192831
Name [?]:
1-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C21H29N3O2/c1-14(2)15-8-10-16(11-9-15)18-22-19(26-23-18)17-7-6-12-24(13-17)20(25)21(3,4)5/h8-11,14,17H,6-7,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,24,25,26,17,16,5,9,6,8,18,20,2,4,7,15,10,12,21,23,11,14,19,22,13/E:(1,2)(3,4,5)(8,9)(10,11)/rA:26cCCCCCCCCCCNCONCCCCNCCOCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d10s13;s12;s15;s16;s17;s18;s15s19;s19;d21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.3586
Area:586.755
Solvation:-2.31024
Coulombic:-30.4182
Bond Count [?]
All:28
Single:22
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.474
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):4.94

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Descriptor Annotations

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