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

A1BCH

Summary

Name:	1-({5-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one
Formula:	C16 H13 Br F N3 O2
Formal charge:	0
Formula weight:	378.196 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	1-({5-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one
OpenEye OEToolkits	3.1.0.0	1-[[5-[(1~{S})-1-(4-bromanyl-3-fluoranyl-phenyl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]pyridin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Brc1ccc(cc1F)C(C)c1nc(CN2C=CC=CC2=O)no1
InChI	InChI	1.06	InChI=1S/C16H13BrFN3O2/c1-10(11-5-6-12(17)13(18)8-11)16-19-14(20-23-16)9-21-7-3-2-4-15(21)22/h2-8,10H,9H2,1H3/t10-/m1/s1
InChIKey	InChI	1.06	MLFBKVSUVBBPBQ-SNVBAGLBSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H](c1onc(CN2C=CC=CC2=O)n1)c3ccc(Br)c(F)c3
SMILES	CACTVS	3.385	C[CH](c1onc(CN2C=CC=CC2=O)n1)c3ccc(Br)c(F)c3
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C[C@@H](c1ccc(c(c1)F)Br)c2nc(no2)CN3C=CC=CC3=O
SMILES	OpenEye OEToolkits	3.1.0.0	CC(c1ccc(c(c1)F)Br)c2nc(no2)CN3C=CC=CC3=O

247947

PDB entries from 2026-01-21

PDB statistics

PDBj update info

Contact PDBj

numon