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Chemical ID: 5988517

Cc1ccccc1C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl

Chemical ID:

5988517

Name [?]:

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

SMILES [?]:

Cc1ccccc1C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C21H20ClN3O2/c1-14-4-2-3-5-18(14)21(26)25-12-10-16(11-13-25)20-23-19(24-27-20)15-6-8-17(22)9-7-15/h2-9,16H,10-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,4,5,3,6,22,26,23,25,12,14,11,15,2,21,13,24,7,18,16,8,27,17,19,10,9,20/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀ClN₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4503
Area:	600.548
Solvation:	-2.56339
Coulombic:	-31.7277

Bond Count [?]

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

Chemical Properties

Molecular Weight:	381.855
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.01
LogP (Chemaxon):	4.46

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