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Chemical ID: 5988781

Cc1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)OC

Chemical ID:

5988781

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,28,23,12,22,13,24,3,7,4,6,11,26,15,2,5,21,14,25,18,16,8,17,19,10,9,27,20/E:(8,9)(10,11)/rA:28cCCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.4639
Area:	609.036
Solvation:	-3.76203
Coulombic:	-37.9514

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:	4.3
LogP (Chemaxon):	3.83

Name Annotations

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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