Chemical ID: 4980118

CCC(C)c1ccc(c(c1)c2cc(on2)N)OCC
Chemical ID:
4980118
Name [?]:
3-(2-ethoxy-5-sec-butyl-phenyl)isoxazol-5-amine
SMILES [?]:
CCC(C)c1ccc(c(c1)c2cc(on2)N)OCC
InChi [?]:
InChI=1/C15H20N2O2/c1-4-10(3)11-6-7-14(18-5-2)12(8-11)13-9-15(16)19-17-13/h6-10H,4-5,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,4,2,18,6,7,10,12,3,5,9,11,8,13,16,15,17,14/rA:19cCCCCCCCCCCCCCONNOCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d11s14;s13;s8;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.9471
Area:470.361
Solvation:-3.81193
Coulombic:-28.6978
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.332
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.59
LogP (Chemaxon):3.47

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