Chemical Components in the PDB

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X0G : Summary

Code

X0G

One-letter code

X

Molecule name

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
OpenEye OEToolkits 2.0.7 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine

Formula

C10 H15 N3 O2

Formal charge

0

Molecular weight

209.245 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C3N(Cc1nc(no1)C2CC2)CCOC3
SMILES CACTVS 3.385 C1CN(CCO1)Cc2onc(n2)C3CC3
SMILES OpenEye OEToolkits 2.0.7 C1CC1c2nc(on2)CN3CCOCC3
Canonical SMILES CACTVS 3.385 C1CN(CCO1)Cc2onc(n2)C3CC3
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CC1c2nc(on2)CN3CCOCC3

IUPAC InChI

InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2

IUPAC InChI key

PAJXOLYFZZURHI-UHFFFAOYSA-N
X0G

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-11-19

Last modified at

2021-06-25

Status

Released

Obsoleted

Not Assigned