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Chemical ID: 5989347

CCOc1ccccc1NC(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl

Chemical ID:

5989347

Name [?]:

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-ethoxyphenyl)-piperidine-1-carboxamide

SMILES [?]:

CCOc1ccccc1NC(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C22H23ClN4O3/c1-2-29-19-6-4-3-5-18(19)24-22(28)27-13-11-16(12-14-27)21-25-20(26-30-21)15-7-9-17(23)10-8-15/h3-10,16H,2,11-14H2,1H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,2,7,6,8,5,25,29,26,28,15,17,14,18,24,16,27,9,4,21,19,11,30,10,20,22,13,12,3,23/E:(7,8)(9,10)(11,12)(13,14)/rA:30nCCOCCCCCCNCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃ClN₄O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0676
Area:	666.084
Solvation:	-3.58448
Coulombic:	-51.5078

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	426.896
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.4
LogP (Chemaxon):	4.49

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

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Chemical Mix	Source	External ID	Descriptor	Value