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Chemical ID: 4455937
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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