ChemDB: Chemical Search
Download
Chemical ID: 4190129
Chemical ID:
4190129
Name [?]:
4-fluoro-N-[4-hydroxy-3-(5-methylbenzooxazol-2-yl)-phenyl]-benzamide
SMILES [?]:
Cc1ccc2c(c1)nc(o2)c3cc(ccc3O)NC(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C21H15FN2O3/c1-12-2-9-19-17(10-12)24-21(27-19)16-11-15(7-8-18(16)25)23-20(26)13-3-5-14(22)6-4-13/h2-11,25H,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,22,26,23,25,14,15,4,7,12,2,21,24,13,11,6,16,5,19,9,27,18,8,17,20,10/E:(3,4)(5,6)/rA:27nCCCCCCCNCOCCCCCCONCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;d12;s13;d14;d11s15;s16;s13;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15FN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50496 |
Area: | 560.78 |
Solvation: | -4.51453 |
Coulombic: | -55.9991 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.354 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.9 |
LogP (Chemaxon): | 5.4 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|