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Chemical ID: 5996703

COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4OC)OC

Chemical ID:

5996703

Name [?]:

(2,4-dimethoxyphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone

SMILES [?]:

COc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4OC)OC

InChi [?]:

InChI=1/C22H23N3O5/c1-27-15-8-6-14(7-9-15)20-23-21(30-24-20)18-5-4-12-25(18)22(26)17-11-10-16(28-2)13-19(17)29-3/h6-11,13,18H,4-5,12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,30,28,16,15,5,7,4,8,23,22,17,25,6,3,24,21,14,26,9,11,19,10,13,18,20,2,29,27,12/E:(6,7)(8,9)/rA:30cCOCCCCCCCNCONCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s14s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃N₃O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	8.72898
Area:	631.366
Solvation:	-7.05517
Coulombic:	-50.2728

Bond Count [?]

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

Chemical Properties

Molecular Weight:	409.435
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.77
LogP (Chemaxon):	2.73

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