4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione

C12H9N3O5 — CID 66083527

IUPAC4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2cc(-c3ccco3)on2)CC(=O)N1
InChIInChI=1S/C12H9N3O5/c16-10-5-15(6-11(17)13-10)12(18)7-4-9(20-14-7)8-2-1-3-19-8/h1-4H,5-6H2,(H,13,16,17)
InChIKeyLVOBSGADNXPYAG-UHFFFAOYSA-N
MW275.22 g/mol
LogP0.03
Rot. Bonds2

About 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione

4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione (PubChem CID 66083527) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
PubChem CID66083527
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC Name4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2cc(-c3ccco3)on2)CC(=O)N1
InChIInChI=1S/C12H9N3O5/c16-10-5-15(6-11(17)13-10)12(18)7-4-9(20-14-7)8-2-1-3-19-8/h1-4H,5-6H2,(H,13,16,17)
InChIKeyLVOBSGADNXPYAG-UHFFFAOYSA-N
XLogP0.03
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione?
The IUPAC name of 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione (CID 66083527) is 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione?
The canonical SMILES for 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione is O=C1CN(C(=O)c2cc(-c3ccco3)on2)CC(=O)N1.
What is the InChIKey of 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione?
The InChIKey is LVOBSGADNXPYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5/c16-10-5-15(6-11(17)13-10)12(18)7-4-9(20-14-7)8-2-1-3-19-8/h1-4H,5-6H2,(H,13,16,17).
What are the key properties of 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione?
4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione has a molecular weight of 275.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione is sourced from PubChem (CID 66083527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).