Chemical ID: 4713969

CCOc1cnc(o1)c2c(onc2c3ccccc3Cl)C
Chemical ID:
4713969
Name [?]:
3-(2-chlorophenyl)-4-(5-ethoxyoxazol-2-yl)-5-methyl-isoxazole
SMILES [?]:
CCOc1cnc(o1)c2c(onc2c3ccccc3Cl)C
InChi [?]:
InChI=1/C15H13ClN2O3/c1-3-19-12-8-17-15(20-12)13-9(2)21-18-14(13)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,16,17,15,18,5,10,14,19,4,9,13,7,20,6,12,3,8,11/rA:21nCCOCCNCOCCONCCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;d9;s10;s11;s9d12;s13;s14;d15;s16;d17;d14s18;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.25422
Area:482.452
Solvation:-2.80709
Coulombic:-28.1893
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.728
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.99
LogP (Chemaxon):3.38

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