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Chemical ID: 5987982

Chemical ID:

5987982

Name [?]:

1-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone

SMILES [?]:

CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br

InChi [?]:

InChI=1/C15H16BrN3O2/c1-10(20)19-9-3-2-4-13(19)15-17-14(18-21-15)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9H2,1H3

InChi Info:

AuxInfo=1/0/N:1,7,6,8,16,20,17,19,5,2,15,18,9,12,10,21,11,13,4,3,14/E:(5,6)(7,8)/rA:21cCCONCCCCCCNCNOCCCCCCBr/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆BrN₃O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.16344
Area:	479.758
Solvation:	-2.8305
Coulombic:	-28.0475

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	350.211
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.47
LogP (Chemaxon):	2.94

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value