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Summary Geometry Related PDB entries

F33

Summary

Name:	2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE
Formula:	C17 H13 N3 O3
Formal charge:	0
Formula weight:	307.303 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]quinazolin-4(3H)-one
OpenEye OEToolkits	1.9.2	3-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]-1,3-oxazolidin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3c4ccccc4N=C(c2ccc(N1C(=O)OCC1)cc2)N3
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
SMILES_CANONICAL	CACTVS	3.385	O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOC4=O
SMILES	CACTVS	3.385	O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOC4=O
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O

218500

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