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Chemical ID: 6246346

Chemical ID:

6246346

Name [?]:

4-butoxy-N-[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]-benzamide

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)Nc2nnc(o2)c3cccnc3

InChi [?]:

InChI=1/C18H18N4O3/c1-2-3-11-24-15-8-6-13(7-9-15)16(23)20-18-22-21-17(25-18)14-5-4-10-19-12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,3,22,21,8,10,7,11,23,4,25,9,20,6,12,18,15,24,14,17,16,13,5,19/E:(6,7)(8,9)/rA:25nCCCCOCCCCCCCONCNNCOCCCCNC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₄O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4244
Area:	578.961
Solvation:	-4.04958
Coulombic:	-48.8134

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	338.361
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.37
LogP (Chemaxon):	2.51

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