ChemDB: Chemical Search
Download
Chemical ID: 5282794
Chemical ID:
5282794
Name [?]:
2-(2,4-dimethylphenyl)benzooxazol-5-amine
SMILES [?]:
Cc1ccc(c(c1)C)c2nc3cc(ccc3o2)N
InChi [?]:
InChI=1/C15H14N2O/c1-9-3-5-12(10(2)7-9)15-17-13-8-11(16)4-6-14(13)18-15/h3-8H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,14,4,15,7,12,2,6,13,5,11,16,9,18,10,17/rA:18nCCCCCCCCCNCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04292 |
Area: | 423.071 |
Solvation: | -1.53386 |
Coulombic: | -32.3411 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 238.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.22 |
LogP (Chemaxon): | 4.17 |
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 |
---|