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Chemical ID: 4456775

Chemical ID:

4456775

Name [?]:

5-(2-fluorophenyl)-3-(p-tolyl)-1,2,4-oxadiazole

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)c3ccccc3F

InChi [?]:

InChI=1/C15H11FN2O/c1-10-6-8-11(9-7-10)14-17-15(19-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₅H₁₁FN₂O
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.40996
Area:	432.592
Solvation:	-2.40484
Coulombic:	-18.4125

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	254.259
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	4.7
LogP (Chemaxon):	4.68

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