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Chemical ID: 5996804

c1ccc(cc1)c2nc(on2)C3CCCN3C(=O)COc4ccc(cc4)Cl

Chemical ID:

5996804

Name [?]:

2-(4-chlorophenoxy)-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-ethanone

SMILES [?]:

c1ccc(cc1)c2nc(on2)C3CCCN3C(=O)COc4ccc(cc4)Cl

InChi [?]:

InChI=1/C20H18ClN3O3/c21-15-8-10-16(11-9-15)26-13-18(25)24-12-4-7-17(24)20-22-19(23-27-20)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2

InChi Info:

AuxInfo=1/0/N:1,2,6,14,3,5,13,23,25,22,26,15,19,4,24,21,12,17,7,9,27,8,11,16,18,20,10/E:(2,3)(5,6)(8,9)(10,11)/rA:27cCCCCCCCNCONCCCCNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s12s15;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈ClN₃O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	10.2785
Area:	606.816
Solvation:	-4.89189
Coulombic:	-37.8845

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	383.828
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.33
LogP (Chemaxon):	3.78

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