Chemical ID: 4305077

CC(C)(C)c1ccc(cc1)c2nc(no2)c3ccccn3
Chemical ID:
4305077
Name [?]:
2-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nc(no2)c3ccccn3
InChi [?]:
InChI=1/C17H17N3O/c1-17(2,3)13-9-7-12(8-10-13)16-19-15(20-21-16)14-6-4-5-11-18-14/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,19,17,7,9,6,10,20,8,5,16,13,11,2,21,12,14,15/E:(1,2,3)(7,8)(9,10)/rA:21nCCCCCCCCCCCNCNOCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5919
Area:488.385
Solvation:-1.61774
Coulombic:-21.0226
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.336
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.76
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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