2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium

C7H4N2O4Re4-2 — CID 59678474

IUPAC2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium
SMILESO=c1[cH-]nc(Cc2n[cH-]c(=O)o2)o1.[Re].[Re].[Re].[Re]
InChIInChI=1S/C7H4N2O4.4Re/c10-6-2-8-4(12-6)1-5-9-3-7(11)13-5;;;;/h2-3H,1H2;;;;/q-2;;;;
InChIKeyUUOBRIDRZAEJHO-UHFFFAOYSA-N
MW924.95 g/mol
LogP-0.60
Rot. Bonds2

About 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium

2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium (PubChem CID 59678474) has the molecular formula C7H4N2O4Re4-2 and a molecular weight of 924.95 g/mol. Its IUPAC name is 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium.

Molecular Properties

Compound Name2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium
PubChem CID59678474
Molecular FormulaC7H4N2O4Re4-2
Molecular Weight924.95 g/mol
Exact Mass927.84
IUPAC Name2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium
SMILESO=c1[cH-]nc(Cc2n[cH-]c(=O)o2)o1.[Re].[Re].[Re].[Re]
InChIInChI=1S/C7H4N2O4.4Re/c10-6-2-8-4(12-6)1-5-9-3-7(11)13-5;;;;/h2-3H,1H2;;;;/q-2;;;;
InChIKeyUUOBRIDRZAEJHO-UHFFFAOYSA-N
XLogP-0.60
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500924.95
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium with MolForge

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Related Compounds

2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 19078032
2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
CID 19078052
2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 23054501

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium?
The IUPAC name of 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium (CID 59678474) is 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium.
What is the SMILES notation for 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium?
The canonical SMILES for 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium is O=c1[cH-]nc(Cc2n[cH-]c(=O)o2)o1.[Re].[Re].[Re].[Re].
What is the InChIKey of 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium?
The InChIKey is UUOBRIDRZAEJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O4.4Re/c10-6-2-8-4(12-6)1-5-9-3-7(11)13-5;;;;/h2-3H,1H2;;;;/q-2;;;;.
What are the key properties of 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium?
2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium has a molecular weight of 924.95 g/mol, XLogP of -0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium is sourced from PubChem (CID 59678474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).