1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione

C10H12N2O6 — CID 10801032

IUPAC1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione
SMILESO=C(CCC(=O)N1CCOC1=O)N1CCOC1=O
InChIInChI=1S/C10H12N2O6/c13-7(11-3-5-17-9(11)15)1-2-8(14)12-4-6-18-10(12)16/h1-6H2
InChIKeyJXMPHFLRKAPXIA-UHFFFAOYSA-N
MW256.21 g/mol
LogP-0.28
Rot. Bonds3

About 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione

1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione (PubChem CID 10801032) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione.

Molecular Properties

Compound Name1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione
PubChem CID10801032
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione
SMILESO=C(CCC(=O)N1CCOC1=O)N1CCOC1=O
InChIInChI=1S/C10H12N2O6/c13-7(11-3-5-17-9(11)15)1-2-8(14)12-4-6-18-10(12)16/h1-6H2
InChIKeyJXMPHFLRKAPXIA-UHFFFAOYSA-N
XLogP-0.28
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione?
The IUPAC name of 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione (CID 10801032) is 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione.
What is the SMILES notation for 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione?
The canonical SMILES for 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione is O=C(CCC(=O)N1CCOC1=O)N1CCOC1=O.
What is the InChIKey of 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione?
The InChIKey is JXMPHFLRKAPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c13-7(11-3-5-17-9(11)15)1-2-8(14)12-4-6-18-10(12)16/h1-6H2.
What are the key properties of 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione?
1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione has a molecular weight of 256.21 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-oxo-1,3-oxazolidin-3-yl)butane-1,4-dione is sourced from PubChem (CID 10801032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).