tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate

C8H13NO4 — CID 20628126

IUPACtert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)C1
InChIInChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-4-6(10)12-5-9/h4-5H2,1-3H3
InChIKeyBCXCTXBRWUEBID-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.74
Rot. Bonds

About tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 20628126) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID20628126
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Nametert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)C1
InChIInChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-4-6(10)12-5-9/h4-5H2,1-3H3
InChIKeyBCXCTXBRWUEBID-UHFFFAOYSA-N
XLogP0.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate (CID 20628126) is tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC(=O)C1.
What is the InChIKey of tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is BCXCTXBRWUEBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-4-6(10)12-5-9/h4-5H2,1-3H3.
What are the key properties of tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 187.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 20628126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).