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Chemical ID: 5997071

CCOc1ccc(cc1)NC(=O)N2CCCC2c3nc(no3)c4ccc(cc4)OC

Chemical ID:

5997071

Name [?]:

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

SMILES [?]:

CCOc1ccc(cc1)NC(=O)N2CCCC2c3nc(no3)c4ccc(cc4)OC

InChi [?]:

InChI=1/C22H24N4O4/c1-3-29-18-12-8-16(9-13-18)23-22(27)26-14-4-5-19(26)21-24-20(25-30-21)15-6-10-17(28-2)11-7-15/h6-13,19H,3-5,14H2,1-2H3,(H,23,27)

InChi Info:

AuxInfo=1/1/N:1,30,2,15,16,24,28,6,8,25,27,5,9,14,23,7,26,4,17,20,18,11,10,19,21,13,12,29,3,22/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCOCCCCCCNCONCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s13s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₄O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8445
Area:	647.418
Solvation:	-5.34094
Coulombic:	-57.0368

Bond Count [?]

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

Chemical Properties

Molecular Weight:	408.451
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.77
LogP (Chemaxon):	3.73

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