Chemical ID: 6566259

c1ccc(cc1)c2cnc(o2)c3ccc(cc3)C=O
Chemical ID:
6566259
Name [?]:
4-(5-phenyloxazol-2-yl)benzaldehyde
SMILES [?]:
c1ccc(cc1)c2cnc(o2)c3ccc(cc3)C=O
InChi [?]:
InChI=1/C16H11NO2/c18-11-12-6-8-14(9-7-12)16-17-10-15(19-16)13-4-2-1-3-5-13/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,16,13,17,8,18,15,4,12,7,10,9,19,11/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCCCCCCCNCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s15;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.22634
Area:451.431
Solvation:-3.05945
Coulombic:-23.5085
Bond Count [?]
All:21
Single:12
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.264
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.45
LogP (Chemaxon):3.35

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