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Chemical ID: 4350953

Chemical ID:

4350953

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)c2nc(no2)c3ccc(cc3)F

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,3,7,4,6,14,18,15,17,2,13,5,16,10,8,19,9,11,12/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCCCCCCCNCNOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.84665
Area:	436.65
Solvation:	-2.0696
Coulombic:	-18.7828

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