Chemical ID: 5347133

CC(C)Cn1c2ccccc2nc1c3c(non3)N
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue