tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate

C8H13NO4 — CID 11975668

IUPACtert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1=O
InChIInChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-4-5-12-6(9)10/h4-5H2,1-3H3
InChIKeyCRAUFNQQYBRZGV-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.37
Rot. Bonds

About tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 11975668) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID11975668
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Nametert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1=O
InChIInChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-4-5-12-6(9)10/h4-5H2,1-3H3
InChIKeyCRAUFNQQYBRZGV-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
CID 12195369
2-Oxazolidinone, 3,5,5-trimethyl-
CID 12318030
tert-butyl (4R)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 15331208
tert-Butyl 5-oxooxazolidine-3-carboxylate
CID 20628126
Tert-butyl 2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 20647370
tert-butyl (4S)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 135038783
Propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate
CID 19391146
3-Oxazolidinecarboxylic acid, 4,4-dimethyl-, 1,1-dimethylethyl ester
CID 11769540
tert-butyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 15426266
Tert-butyl 4-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 101022671
Tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 101022672
2-stannyl-N-boc-1,3-oxazolidine
CID 129829508

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate (CID 11975668) is tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CCOC1=O.
What is the InChIKey of tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is CRAUFNQQYBRZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-4-5-12-6(9)10/h4-5H2,1-3H3.
What are the key properties of tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 187.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11975668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).