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Chemical ID: 5347133
Chemical ID:
5347133
Name [?]:
4-(1-isobutylbenzoimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILES [?]:
CC(C)Cn1c2ccccc2nc1c3c(non3)N
InChi [?]:
InChI=1/C13H15N5O/c1-8(2)7-18-10-6-4-3-5-9(10)15-13(18)11-12(14)17-19-16-11/h3-6,8H,7H2,1-2H3,(H2,14,17)
InChi Info:
AuxInfo=1/1/N:1,3,9,8,10,7,4,2,11,6,14,15,13,19,12,18,16,5,17/E:(1,2)/rA:19nCCCCNCCCCCCNCCCNONN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s5d12;s13;s14;d15;s16;d14s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N5O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16989 |
Area: | 423.243 |
Solvation: | -1.41118 |
Coulombic: | -34.8389 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.291 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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