5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

C10H14N4O3S — CID 107436486

IUPAC5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESO=C1CNC(c2nc(C3CSCCO3)no2)CN1
InChIInChI=1S/C10H14N4O3S/c15-8-4-11-6(3-12-8)10-13-9(14-17-10)7-5-18-2-1-16-7/h6-7,11H,1-5H2,(H,12,15)
InChIKeyMTHKCPCHBPROKT-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.37
Rot. Bonds2

About 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 107436486) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID107436486
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESO=C1CNC(c2nc(C3CSCCO3)no2)CN1
InChIInChI=1S/C10H14N4O3S/c15-8-4-11-6(3-12-8)10-13-9(14-17-10)7-5-18-2-1-16-7/h6-7,11H,1-5H2,(H,12,15)
InChIKeyMTHKCPCHBPROKT-UHFFFAOYSA-N
XLogP-0.37
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436463
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 79968592
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436173
4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200505
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436079
3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79962782
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435925
5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436719
2,2-dimethyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 79966683
2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 79968590
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436810
N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79969966

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 107436486) is 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is O=C1CNC(c2nc(C3CSCCO3)no2)CN1.
What is the InChIKey of 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is MTHKCPCHBPROKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c15-8-4-11-6(3-12-8)10-13-9(14-17-10)7-5-18-2-1-16-7/h6-7,11H,1-5H2,(H,12,15).
What are the key properties of 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 270.31 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 107436486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).