Chemical ID: 4455937

Cc1ccc(cc1)c2nc(on2)CC3CCCCC3
Chemical ID:
4455937
Name [?]:
5-(cyclohexylmethyl)-3-(p-tolyl)-1,2,4-oxadiazole
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)CC3CCCCC3
InChi [?]:
InChI=1/C16H20N2O/c1-12-7-9-14(10-8-12)16-17-15(19-18-16)11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,3,7,4,6,13,2,14,5,10,8,9,12,11/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCNCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.3766
Area:460.885
Solvation:-1.14553
Coulombic:-14.322
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:256.343
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.52
LogP (Chemaxon):4.57

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Descriptor Annotations

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