1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione

C8H10N4O3 — CID 106409945

IUPAC1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CCc2ncno2)C(=O)N1
InChIInChI=1S/C8H10N4O3/c13-6-1-3-12(8(14)11-6)4-2-7-9-5-10-15-7/h5H,1-4H2,(H,11,13,14)
InChIKeyXGDGOZMIPJOSNZ-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.45
Rot. Bonds3

About 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione

1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 106409945) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione
PubChem CID106409945
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CCc2ncno2)C(=O)N1
InChIInChI=1S/C8H10N4O3/c13-6-1-3-12(8(14)11-6)4-2-7-9-5-10-15-7/h5H,1-4H2,(H,11,13,14)
InChIKeyXGDGOZMIPJOSNZ-UHFFFAOYSA-N
XLogP-0.45
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione (CID 106409945) is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione is O=C1CCN(CCc2ncno2)C(=O)N1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is XGDGOZMIPJOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c13-6-1-3-12(8(14)11-6)4-2-7-9-5-10-15-7/h5H,1-4H2,(H,11,13,14).
What are the key properties of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione?
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 106409945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).