Chemical Components in the PDB

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LFG : Summary

Code

LFG

One-letter code

X

Molecule name

N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
OpenEye OEToolkits 2.0.6 ~{N}-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine

Formula

C12 H19 N3 O

Formal charge

0

Molecular weight

221.299 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2nc(NC1CCCCCC1)oc2C3CC3
SMILES CACTVS 3.385 C1CCCC(CC1)Nc2oc(nn2)C3CC3
SMILES OpenEye OEToolkits 2.0.6 C1CCCC(CC1)Nc2nnc(o2)C3CC3
Canonical SMILES CACTVS 3.385 C1CCCC(CC1)Nc2oc(nn2)C3CC3
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CCCC(CC1)Nc2nnc(o2)C3CC3

IUPAC InChI

InChI=1S/C12H19N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h9-10H,1-8H2,(H,13,15)

IUPAC InChI key

JVKMRHJNTQEBIV-UHFFFAOYSA-N
LFG

wwPDB Information

Atom count

35 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-02-22

Last modified at

2019-05-03

Status

Released

Obsoleted

Not Assigned