propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate

C7H11NO4 — CID 19391146

IUPACpropan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)OC(=O)N1CCOC1=O
InChIInChI=1S/C7H11NO4/c1-5(2)12-7(10)8-3-4-11-6(8)9/h5H,3-4H2,1-2H3
InChIKeyXXMJMFAQPAYTRG-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.98
Rot. Bonds1

About propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate

propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 19391146) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID19391146
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namepropan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)OC(=O)N1CCOC1=O
InChIInChI=1S/C7H11NO4/c1-5(2)12-7(10)8-3-4-11-6(8)9/h5H,3-4H2,1-2H3
InChIKeyXXMJMFAQPAYTRG-UHFFFAOYSA-N
XLogP0.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate (CID 19391146) is propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)OC(=O)N1CCOC1=O.
What is the InChIKey of propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is XXMJMFAQPAYTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(2)12-7(10)8-3-4-11-6(8)9/h5H,3-4H2,1-2H3.
What are the key properties of propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate?
propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 173.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 19391146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).