Chemical ID: 5996931

CCNC(=O)N1CCCC1c2nc(no2)c3ccc(cc3)Br
Chemical ID:
5996931
Name [?]:
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-pyrrolidine-1-carboxamide
SMILES [?]:
CCNC(=O)N1CCCC1c2nc(no2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C15H17BrN4O2/c1-2-17-15(21)20-9-3-4-12(20)14-18-13(19-22-14)10-5-7-11(16)8-6-10/h5-8,12H,2-4,9H2,1H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,17,21,18,20,7,16,19,10,13,11,4,22,3,12,14,6,5,15/E:(5,6)(7,8)/rA:22cCCNCONCCCCCNCNOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17BrN4O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.5768
Area:524.246
Solvation:-2.52932
Coulombic:-43.5308
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.225
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.17
LogP (Chemaxon):2.87

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