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Chemical ID: 4804677

Chemical ID:

4804677

Name [?]:

N-(p-tolyl)-3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-propanamide

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)CCC(=O)Nc3ccc(cc3)C

InChi [?]:

InChI=1/C19H19N3O2/c1-13-3-7-15(8-4-13)19-21-18(24-22-19)12-11-17(23)20-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,24,3,7,20,22,4,6,19,23,14,13,2,21,5,18,15,10,8,17,9,12,16,11/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCNCONCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2453
Area:	558.831
Solvation:	-2.72544
Coulombic:	-32.4651

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	321.373
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.99
LogP (Chemaxon):	4.33

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

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Chemical Mix	Source	External ID	Descriptor	Value