1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione

C8H9N3O3 — CID 77019879

IUPAC1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2ccno2)C(=O)N1
InChIInChI=1S/C8H9N3O3/c12-7-2-4-11(8(13)10-7)5-6-1-3-9-14-6/h1,3H,2,4-5H2,(H,10,12,13)
InChIKeyQETKNIVZTDQUIC-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.12
Rot. Bonds2

About 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione

1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione (PubChem CID 77019879) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione
PubChem CID77019879
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2ccno2)C(=O)N1
InChIInChI=1S/C8H9N3O3/c12-7-2-4-11(8(13)10-7)5-6-1-3-9-14-6/h1,3H,2,4-5H2,(H,10,12,13)
InChIKeyQETKNIVZTDQUIC-UHFFFAOYSA-N
XLogP0.12
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione (CID 77019879) is 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione is O=C1CCN(Cc2ccno2)C(=O)N1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione?
The InChIKey is QETKNIVZTDQUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-7-2-4-11(8(13)10-7)5-6-1-3-9-14-6/h1,3H,2,4-5H2,(H,10,12,13).
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione?
1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione has a molecular weight of 195.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77019879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).