English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

ZP5

Summary

Name:	4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
Formula:	C13 H14 N4 O4
Formal charge:	0
Formula weight:	290.275 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
OpenEye OEToolkits	2.0.7	4-(furan-2-ylcarbonyl)-~{N}-(1,2-oxazol-3-yl)piperazine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1
InChI	InChI	1.06	InChI=1S/C13H14N4O4/c18-12(10-2-1-8-20-10)16-4-6-17(7-5-16)13(19)14-11-3-9-21-15-11/h1-3,8-9H,4-7H2,(H,14,15,19)
InChIKey	InChI	1.06	JFRDDDWDJJFTRC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3
SMILES	CACTVS	3.385	O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3

222415

건을2024-07-10부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon