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Chemical ID: 5988807

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)COCc4ccccc4

Chemical ID:

5988807

Name [?]:

2-benzyloxy-1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-ethanone

SMILES [?]:

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)COCc4ccccc4

InChi [?]:

InChI=1/C23H25N3O4/c1-28-20-11-5-9-18(13-20)22-24-23(30-25-22)19-10-6-12-26(14-19)21(27)16-29-15-17-7-3-2-4-8-17/h2-5,7-9,11,13,19H,6,10,12,14-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,27,29,5,16,26,30,6,15,4,17,8,19,24,22,25,7,14,3,20,9,11,10,13,18,21,2,23,12/E:(3,4)(7,8)/rA:30cCOCCCCCCCNCONCCCCNCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.0788
Area:	669.195
Solvation:	-6.65108
Coulombic:	-44.294

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	407.462
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.34
LogP (Chemaxon):	3.14

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