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Chemical ID: 7388764
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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