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Chemical ID: 4656774

Chemical ID:

4656774

Name [?]:

5-(2-chloro-4-methyl-phenyl)-3-(p-tolyl)-1,2,4-oxadiazole

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)c3ccc(cc3Cl)C

InChi [?]:

InChI=1/C16H13ClN2O/c1-10-3-6-12(7-4-10)15-18-16(20-19-15)13-8-5-11(2)9-14(13)17/h3-9H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,3,7,15,4,6,14,17,2,16,5,13,18,8,10,19,9,12,11/E:(3,4)(6,7)/rA:20nCCCCCCCCNCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃ClN₂O
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4845
Area:	473.607
Solvation:	-1.35567
Coulombic:	-15.5609

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	284.74
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	5.6
LogP (Chemaxon):	5.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value