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Chemical ID: 5988265

Cc1ccccc1C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)OC

Chemical ID:

5988265

Name [?]:

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

SMILES [?]:

Cc1ccccc1C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)OC

InChi [?]:

InChI=1/C22H23N3O3/c1-15-7-3-4-8-18(15)22(26)25-14-6-5-9-19(25)21-23-20(24-28-21)16-10-12-17(27-2)13-11-16/h3-4,7-8,10-13,19H,5-6,9,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,28,4,5,13,12,3,6,14,22,26,23,25,11,2,21,24,7,15,18,16,8,17,19,10,9,27,20/E:(10,11)(12,13)/rA:28cCCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃N₃O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	10.4251
Area:	577.734
Solvation:	-4.01828
Coulombic:	-38.3292

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	377.436
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.74
LogP (Chemaxon):	4.1

Name Annotations

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

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