1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate

C8H12N2O5 — CID 54046288

IUPAC1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate
SMILESO=C(OC(=O)C1NCCO1)C1NCCO1
InChIInChI=1S/C8H12N2O5/c11-7(5-9-1-3-13-5)15-8(12)6-10-2-4-14-6/h5-6,9-10H,1-4H2
InChIKeyLPUQGPXGMKKLMY-UHFFFAOYSA-N
MW216.19 g/mol
LogP-2.05
Rot. Bonds2

About 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate

1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate (PubChem CID 54046288) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Name1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate
PubChem CID54046288
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate
SMILESO=C(OC(=O)C1NCCO1)C1NCCO1
InChIInChI=1S/C8H12N2O5/c11-7(5-9-1-3-13-5)15-8(12)6-10-2-4-14-6/h5-6,9-10H,1-4H2
InChIKeyLPUQGPXGMKKLMY-UHFFFAOYSA-N
XLogP-2.05
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate?
The IUPAC name of 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate (CID 54046288) is 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate?
The canonical SMILES for 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate is O=C(OC(=O)C1NCCO1)C1NCCO1.
What is the InChIKey of 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate?
The InChIKey is LPUQGPXGMKKLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c11-7(5-9-1-3-13-5)15-8(12)6-10-2-4-14-6/h5-6,9-10H,1-4H2.
What are the key properties of 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate?
1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate has a molecular weight of 216.19 g/mol, XLogP of -2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 54046288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).