Chemical Components in the PDB

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OX6 : Summary

Code

OX6

One-letter code

X

Molecule name

TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE

Systematic names

ProgramVersionName
ACDLabs 10.04 tert-butyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
OpenEye OEToolkits 1.5.0 tert-butyl N-[(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

Formula

C11 H19 N3 O3

Formal charge

0

Molecular weight

241.287 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
SMILES CACTVS 3.341 CC(C)[CH](NC(=O)OC(C)(C)C)c1ocnn1
SMILES OpenEye OEToolkits 1.5.0 CC(C)C(c1nnco1)NC(=O)OC(C)(C)C
Canonical SMILES CACTVS 3.341 CC(C)[C@@H](NC(=O)OC(C)(C)C)c1ocnn1
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C

IUPAC InChI

InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1

IUPAC InChI key

PARUDDGQWSBIIO-MRVPVSSYSA-N
OX6

wwPDB Information

Atom count

36 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-05-22

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned