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Chemical ID: 5996649

Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4cccc5c4cccc5

Chemical ID:

5996649

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4cccc5c4cccc5

InChi [?]:

InChI=1/C24H21N3O2/c1-16-11-13-18(14-12-16)22-25-23(29-26-22)21-10-5-15-27(21)24(28)20-9-4-7-17-6-2-3-8-19(17)20/h2-4,6-9,11-14,21H,5,10,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,27,22,15,29,23,26,21,14,3,7,4,6,16,2,24,5,25,20,13,8,10,18,9,12,17,19,11/E:(11,12)(13,14)/rA:29cCCCCCCCCNCONCCCCNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s13s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁N₃O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2294
Area:	596.627
Solvation:	-2.6863
Coulombic:	-33.207

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	383.443
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.73
LogP (Chemaxon):	4.96

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