1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one

C8H12N4O2 — CID 106409993

IUPAC1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCc1ncno1
InChIInChI=1S/C8H12N4O2/c13-8-9-3-1-4-12(8)5-2-7-10-6-11-14-7/h6H,1-5H2,(H,9,13)
InChIKeyOSXPQFRAAJXTHS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.03
Rot. Bonds3

About 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one

1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one (PubChem CID 106409993) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one
PubChem CID106409993
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCc1ncno1
InChIInChI=1S/C8H12N4O2/c13-8-9-3-1-4-12(8)5-2-7-10-6-11-14-7/h6H,1-5H2,(H,9,13)
InChIKeyOSXPQFRAAJXTHS-UHFFFAOYSA-N
XLogP0.03
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one (CID 106409993) is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one is O=C1NCCCN1CCc1ncno1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one?
The InChIKey is OSXPQFRAAJXTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-8-9-3-1-4-12(8)5-2-7-10-6-11-14-7/h6H,1-5H2,(H,9,13).
What are the key properties of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one?
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one has a molecular weight of 196.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 106409993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).