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Chemical ID: 4241457

Chemical ID:

4241457

Name [?]:

3-(4-methoxyphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole

SMILES [?]:

COc1ccc(cc1)c2nc(on2)CCCOc3ccccc3

InChi [?]:

InChI=1/C18H18N2O3/c1-21-15-11-9-14(10-12-15)18-19-17(23-20-18)8-5-13-22-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,21,20,22,15,19,23,14,5,7,4,8,16,6,3,18,11,9,10,13,2,17,12/E:(3,4)(6,7)(9,10)(11,12)/rA:23nCOCCCCCCCNCONCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.32407
Area:	544.536
Solvation:	-4.28933
Coulombic:	-27.625

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	310.347
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.22
LogP (Chemaxon):	3.75

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