75K

2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE

Created:	2016-03-14
Last modified:	2016-04-13

Find Related PDB Entry
1 entries where 75K 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	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	5

2D diagram of 75K

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE
Systematic Name (OpenEye OEToolkits)	2,6-dimethylpyrano[3,4-d][1,3]oxazol-4-one
Formula	C₈ H₇ N O₃
Molecular Weight	165.146
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=Cc2oc(C)nc2C(=O)O1
SMILES	OpenEye OEToolkits	1.7.6	Cc1nc2c(o1)C=C(OC2=O)C
Canonical SMILES	CACTVS	3.385	CC1=Cc2oc(C)nc2C(=O)O1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1nc2c(o1)C=C(OC2=O)C
InChI	InChI	1.03	InChI=1S/C8H7NO3/c1-4-3-6-7(8(10)11-4)9-5(2)12-6/h3H,1-2H3
InChIKey	InChI	1.03	ZJAOWOARDLUNKM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118987023

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.