Chemical ID: 4169586

c1ccc2c(c1)nc(o2)CCCCc3nc4ccccc4o3
Chemical ID:
4169586
Name [?]:
2-(4-benzooxazol-2-ylbutyl)benzooxazole
SMILES [?]:
c1ccc2c(c1)nc(o2)CCCCc3nc4ccccc4o3
InChi [?]:
InChI=1/C18H16N2O2/c1-3-9-15-13(7-1)19-17(21-15)11-5-6-12-18-20-14-8-2-4-10-16(14)22-18/h1-4,7-10H,5-6,11-12H2
InChi Info:
AuxInfo=1/0/N:1,18,2,19,11,12,6,17,3,20,10,13,5,16,4,21,8,14,7,15,9,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCNCOCCCCCNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.3784
Area:515.296
Solvation:-2.504
Coulombic:-28.9848
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.332
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.05
LogP (Chemaxon):4.77

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