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Chemical ID: 5988866

COc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4

Chemical ID:

5988866

Name [?]:

[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-phenyl-methanone

SMILES [?]:

COc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4

InChi [?]:

InChI=1/C21H21N3O3/c1-26-18-9-5-8-17(14-18)19-22-20(27-23-19)15-10-12-24(13-11-15)21(25)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,25,24,26,5,23,27,6,4,15,19,16,18,8,14,22,7,3,9,11,20,10,13,17,21,2,12/E:(3,4)(6,7)(10,11)(12,13)/rA:27nCOCCCCCCCNCONCCCNCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁N₃O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6739
Area:	587.151
Solvation:	-4.0049
Coulombic:	-37.8315

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	363.41
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.87
LogP (Chemaxon):	3.22

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