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Chemical ID: 5996642

Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)C(c4ccccc4)c5ccccc5

Chemical ID:

5996642

Name [?]:

2,2-diphenyl-1-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-ethanone

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)C(c4ccccc4)c5ccccc5

InChi [?]:

InChI=1/C27H25N3O2/c1-19-14-16-22(17-15-19)25-28-26(32-29-25)23-13-8-18-30(23)27(31)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,23-24H,8,13,18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,24,30,23,25,29,31,15,22,26,28,32,14,3,7,4,6,16,2,21,27,5,13,20,8,10,18,9,12,17,19,11/E:(2,3)(4,5,6,7)(9,10,11,12)(14,15)(16,17)(20,21)/rA:32cCCCCCCCCNCONCCCCNCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s13s16;s17;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:	12.7634
Area:	640.523
Solvation:	-3.24972
Coulombic:	-33.2511

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:	5.94
LogP (Chemaxon):	5.85

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