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Chemical ID: 7407103

Chemical ID:

7407103

Name [?]:

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanecarboxamide

SMILES [?]:

COc1ccc(cc1OC)c2nc(on2)CNC(=O)C3CCCCC3

InChi [?]:

InChI=1/C18H23N3O4/c1-23-14-9-8-13(10-15(14)24-2)17-20-16(25-21-17)11-19-18(22)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,10,23,22,24,21,25,5,4,7,16,20,6,3,8,13,11,18,17,12,15,19,2,9,14/E:(4,5)(6,7)/rA:25nCOCCCCCCOCCNCONCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d11s14;s13;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₃N₃O₄
All Atoms:	48
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.71267
Area:	574.421
Solvation:	-5.64784
Coulombic:	-46.8268

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	345.393
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.03
LogP (Chemaxon):	2.36

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