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Chemical ID: 5988209

Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CC(C)CC(C)(C)C

Chemical ID:

5988209

Name [?]:

3,5,5-trimethyl-1-[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-hexan-1-one

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CC(C)CC(C)(C)C

InChi [?]:

InChI=1/C23H33N3O2/c1-16-6-8-18(9-7-16)21-24-22(28-25-21)19-10-12-26(13-11-19)20(27)14-17(2)15-23(3,4)5/h6-9,17,19H,10-15H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,23,26,27,28,3,7,4,6,14,18,15,17,21,24,2,22,5,13,19,8,10,25,9,12,16,20,11/E:(3,4,5)(6,7)(8,9)(10,11)(12,13)/rA:28cCCCCCCCCNCONCCCNCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;s22;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₃N₃O₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	13.3225
Area:	636.856
Solvation:	-2.59894
Coulombic:	-29.8649

Bond Count [?]

All:	30
Single:	24
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	383.527
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.25
LogP (Chemaxon):	5.12

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value