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Chemical ID: 5997075

COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)Nc4ccccc4OC

Chemical ID:

5997075

Name [?]:

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-5-yl]-pyrrolidine-1-carboxamide

SMILES [?]:

COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)Nc4ccccc4OC

InChi [?]:

InChI=1/C21H22N4O4/c1-27-15-11-9-14(10-12-15)19-23-20(29-24-19)17-7-5-13-25(17)21(26)22-16-6-3-4-8-18(16)28-2/h3-4,6,8-12,17H,5,7,13H2,1-2H3,(H,22,26)

InChi Info:

AuxInfo=1/1/N:1,29,24,25,16,23,15,26,5,7,4,8,17,6,3,22,14,27,9,11,19,21,10,13,18,20,2,28,12/E:(9,10)(11,12)/rA:29cCOCCCCCCCNCONCCCCNCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s14s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₂N₄O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3241
Area:	617.049
Solvation:	-5.10209
Coulombic:	-57.9891

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	394.424
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.35
LogP (Chemaxon):	3.38

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