Chemical ID: 4380389

Cc1cccc(c1)c2nc(on2)C34CC5CC(C3)CC(C5)C4
Chemical ID:
4380389
Name [?]:
5-(1-adamantyl)-3-(m-tolyl)-1,2,4-oxadiazole
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C19H22N2O/c1-12-3-2-4-16(5-12)17-20-18(22-21-17)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,7,16,19,21,18,14,22,2,17,15,20,6,8,10,13,9,12,11/E:(6,7,8)(9,10,11)(13,14,15)/rA:22nCCCCCCCCNCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7528
Area:471.671
Solvation:-1.03899
Coulombic:-14.9886
Bond Count [?]
All:26
Single:21
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.391
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.78
LogP (Chemaxon):5.06

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Descriptor Annotations

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