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Chemical ID: 5989408

Cc1cccc(c1)NC(=O)N2CCC(CC2)c3nc(no3)c4ccccc4

Chemical ID:

5989408

Name [?]:

N-(m-tolyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-piperidine-1-carboxamide

SMILES [?]:

Cc1cccc(c1)NC(=O)N2CCC(CC2)c3nc(no3)c4ccccc4

InChi [?]:

InChI=1/C21H22N4O2/c1-15-6-5-9-18(14-15)22-21(26)25-12-10-17(11-13-25)20-23-19(24-27-20)16-7-3-2-4-8-16/h2-9,14,17H,10-13H2,1H3,(H,22,26)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,4,3,23,27,5,13,15,12,16,7,2,22,14,6,19,17,9,8,18,20,11,10,21/E:(3,4)(7,8)(10,11)(12,13)/rA:27nCCCCCCCNCONCCCCCCNCNOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₂N₄O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0991
Area:	591.555
Solvation:	-2.68981
Coulombic:	-43.7784

Bond Count [?]

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

Chemical Properties

Molecular Weight:	362.425
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.88
LogP (Chemaxon):	4.35

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