Chemical ID: 5996706

CCc1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)OC
Chemical ID:
5996706
Name [?]:
(4-ethylphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
CCc1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C22H23N3O3/c1-3-15-6-8-17(9-7-15)22(26)25-14-4-5-19(25)21-23-20(24-28-21)16-10-12-18(27-2)13-11-16/h6-13,19H,3-5,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,13,14,4,8,5,7,22,26,23,25,12,3,21,6,24,15,18,16,9,17,19,11,10,27,20/E:(6,7)(8,9)(10,11)(12,13)/rA:28cCCCCCCCCCONCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.2074
Area:605.939
Solvation:-3.94107
Coulombic:-38.7271
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:377.436
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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