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Chemical ID: 5994983

c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)C(c4ccccc4)Cl

Chemical ID:

5994983

Name [?]:

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

SMILES [?]:

c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)C(c4ccccc4)Cl

InChi [?]:

InChI=1/C21H20ClN3O2/c22-18(15-8-3-1-4-9-15)21(26)25-13-7-12-17(14-25)20-23-19(24-27-20)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2

InChi Info:

AuxInfo=1/0/N:24,1,23,25,2,6,14,22,26,3,5,13,15,17,21,4,12,20,7,9,18,27,8,11,16,19,10/E:(3,4)(5,6)(8,9)(10,11)/rA:27cCCCCCCCNCONCCCCNCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀ClN₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	2

ZAP Information [?]

Total:	12.1918
Area:	601.64
Solvation:	-2.84914
Coulombic:	-32.1481

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	381.855
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.96
LogP (Chemaxon):	4.45

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value