F33

2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE

Created:	2013-06-24
Last modified:	2014-09-05

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1 entries where F33 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	12

2D diagram of F33

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Chemical Component Summary
Name	2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE
Systematic Name (OpenEye OEToolkits)	3-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]-1,3-oxazolidin-2-one
Formula	C₁₇ H₁₃ N₃ O₃
Molecular Weight	307.303
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3c4ccccc4N=C(c2ccc(N1C(=O)OCC1)cc2)N3
SMILES	CACTVS	3.385	O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOC4=O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O
Canonical SMILES	CACTVS	3.385	O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOC4=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O
InChI	InChI	1.03	InChI=1S/C17H13N3O3/c21-16-13-3-1-2-4-14(13)18-15(19-16)11-5-7-12(8-6-11)20-9-10-23-17(20)22/h1-8H,9-10H2,(H,18,19,21)
InChIKey	InChI	1.03	PIZDAXYCXABQQI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	45834969, 135566662

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.