Chemical ID: 5996785

CCCCC(=O)N1CCCC1c2nc(no2)c3ccccc3
Chemical ID:
5996785
Name [?]:
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
SMILES [?]:
CCCCC(=O)N1CCCC1c2nc(no2)c3ccccc3
InChi [?]:
InChI=1/C17H21N3O2/c1-2-3-11-15(21)20-12-7-10-14(20)17-18-16(19-22-17)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,20,19,21,9,18,22,10,4,8,17,11,5,14,12,13,15,7,6,16/E:(5,6)(8,9)/rA:22cCCCCCONCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.3747
Area:522.127
Solvation:-2.67853
Coulombic:-29.848
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.368
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.7
LogP (Chemaxon):3.18

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Descriptor Annotations

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