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Summary Geometry Related PDB entries

IV4

Summary

Name:	1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(1-phenyl-1H-pyrazol-5-yl)-1,3-dihydro-2H-imidazol-2-one
Formula:	C24 H21 N5 O2
Formal charge:	0
Formula weight:	411.456 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(1-phenyl-1H-pyrazol-5-yl)-1,3-dihydro-2H-imidazol-2-one
OpenEye OEToolkits	2.0.7	1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)imidazol-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N(C=CN1CCc1nc(oc1C)c1ccccc1)c1ccnn1c1ccccc1
InChI	InChI	1.03	InChI=1S/C24H21N5O2/c1-18-21(26-23(31-18)19-8-4-2-5-9-19)13-15-27-16-17-28(24(27)30)22-12-14-25-29(22)20-10-6-3-7-11-20/h2-12,14,16-17H,13,15H2,1H3
InChIKey	InChI	1.03	NFOFESUVPDPSTC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1oc(nc1CCN2C=CN(C2=O)c3ccnn3c4ccccc4)c5ccccc5
SMILES	CACTVS	3.385	Cc1oc(nc1CCN2C=CN(C2=O)c3ccnn3c4ccccc4)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(nc(o1)c2ccccc2)CCN3C=CN(C3=O)c4ccnn4c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc(o1)c2ccccc2)CCN3C=CN(C3=O)c4ccnn4c5ccccc5

222624

건을2024-07-17부터공개중

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