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Chemical ID: 4169586
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
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Experimental Annotations
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Descriptor Annotations
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