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Chemical ID: 6282644

Chemical ID:

6282644

Name [?]:

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C17H15N3O3/c1-11-3-5-12(6-4-11)15(21)18-17-20-19-16(23-17)13-7-9-14(22-2)10-8-13/h3-10H,1-2H3,(H,18,20,21)

InChi Info:

AuxInfo=1/1/N:1,23,3,7,4,6,17,21,18,20,2,5,16,19,8,14,11,10,13,12,9,22,15/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCONCNNCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅N₃O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.33358
Area:	519.648
Solvation:	-3.65762
Coulombic:	-44.8611

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	309.319
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.71
LogP (Chemaxon):	3.08

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