Chemical ID: 7388764

COc1ccc(cc1)c2nc(on2)CCC3CCCC3
Chemical ID:
7388764
Name [?]:
5-(2-cyclopentylethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILES [?]:
COc1ccc(cc1)c2nc(on2)CCC3CCCC3
InChi [?]:
InChI=1/C16H20N2O2/c1-19-14-9-7-13(8-10-14)16-17-15(20-18-16)11-6-12-4-2-3-5-12/h7-10,12H,2-6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,15,5,7,4,8,14,16,6,3,11,9,10,13,2,12/E:(2,3)(4,5)(7,8)(9,10)/rA:20nCOCCCCCCCNCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O2
All Atoms:40
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.75479
Area:492.021
Solvation:-2.54574
Coulombic:-20.5476
Bond Count [?]
All:22
Single:17
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.342
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.0
LogP (Chemaxon):3.85

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Descriptor Annotations

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