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Chemical ID: 5996931
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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