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Chemical ID: 5988561

c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)C(c4ccccc4)c5ccccc5

Chemical ID:

5988561

Name [?]:

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

SMILES [?]:

c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)C(c4ccccc4)c5ccccc5

InChi [?]:

InChI=1/C27H25N3O2/c31-27(24(20-11-4-1-5-12-20)21-13-6-2-7-14-21)30-18-10-17-23(19-30)26-28-25(29-32-26)22-15-8-3-9-16-22/h1-9,11-16,23-24H,10,17-19H2

InChi Info:

AuxInfo=1/0/N:24,30,1,23,25,29,31,2,6,14,22,26,28,32,3,5,13,15,17,21,27,4,12,20,7,9,18,8,11,16,19,10/E:(1,2)(4,5,6,7)(8,9)(11,12,13,14)(15,16)(20,21)/rA:32cCCCCCCCNCONCCCCNCCOCCCCCCCCCCCCC/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;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₅N₃O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.3305
Area:	654.877
Solvation:	-3.04142
Coulombic:	-33.1233

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	423.506
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.43
LogP (Chemaxon):	5.51

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value