A5Z

[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol

Created:	2017-08-16
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where A5Z is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of A5Z

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol
Systematic Name (OpenEye OEToolkits)	[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol
Formula	C₁₁ H₉ Cl₂ N O₂
Molecular Weight	258.101
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1onc(c1CO)c2c(Cl)cccc2Cl
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(no1)c2c(cccc2Cl)Cl)CO
Canonical SMILES	CACTVS	3.385	Cc1onc(c1CO)c2c(Cl)cccc2Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(no1)c2c(cccc2Cl)Cl)CO
InChI	InChI	1.03	InChI=1S/C11H9Cl2NO2/c1-6-7(5-15)11(14-16-6)10-8(12)3-2-4-9(10)13/h2-4,15H,5H2,1H3
InChIKey	InChI	1.03	YDHHKMQOVBJACX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2781686

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.