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Chemical ID: 5988498

c1ccc(cc1)COCC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl

Chemical ID:

5988498

Name [?]:

2-benzyloxy-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-ethanone

SMILES [?]:

c1ccc(cc1)COCC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C22H22ClN3O3/c23-18-11-9-17(10-12-18)21-24-22(29-25-21)19-8-4-5-13-26(19)20(27)15-28-14-16-6-2-1-3-7-16/h1-3,6-7,9-12,19H,4-5,8,13-15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,15,14,3,5,16,24,28,25,27,13,7,9,4,23,26,17,10,20,18,29,19,21,12,11,8,22/E:(2,3)(6,7)(9,10)(11,12)/rA:29cCCCCCCCOCCONCCCCCCNCNOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	10.4298
Area:	644.981
Solvation:	-5.69478
Coulombic:	-38.3616

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	411.881
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.48
LogP (Chemaxon):	4.17

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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