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Chemical ID: 5988119

Cc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)C

Chemical ID:

5988119

Name [?]:

[4-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(p-tolyl)methanone

SMILES [?]:

Cc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)C

InChi [?]:

InChI=1/C22H23N3O2/c1-15-6-8-18(9-7-15)22(26)25-12-10-17(11-13-25)21-23-20(24-27-21)19-5-3-4-16(2)14-19/h3-9,14,17H,10-13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,27,23,24,22,3,7,4,6,12,14,11,15,26,2,25,13,5,21,18,16,8,17,19,10,9,20/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCONCCCCCCNCNOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃N₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2715
Area:	593.726
Solvation:	-2.57165
Coulombic:	-31.3942

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	361.437
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.83
LogP (Chemaxon):	4.41

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