(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate

C11H19NO4 — CID 14241810

IUPAC(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate
SMILESCCCC(=O)OCC1CN(C(C)C)C(=O)O1
InChIInChI=1S/C11H19NO4/c1-4-5-10(13)15-7-9-6-12(8(2)3)11(14)16-9/h8-9H,4-7H2,1-3H3
InChIKeyKGIXXKOIZQSHNK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds5

About (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate

(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate (PubChem CID 14241810) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate.

Molecular Properties

Compound Name(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate
PubChem CID14241810
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate
SMILESCCCC(=O)OCC1CN(C(C)C)C(=O)O1
InChIInChI=1S/C11H19NO4/c1-4-5-10(13)15-7-9-6-12(8(2)3)11(14)16-9/h8-9H,4-7H2,1-3H3
InChIKeyKGIXXKOIZQSHNK-UHFFFAOYSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate?
The IUPAC name of (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate (CID 14241810) is (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate.
What is the SMILES notation for (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate?
The canonical SMILES for (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate is CCCC(=O)OCC1CN(C(C)C)C(=O)O1.
What is the InChIKey of (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate?
The InChIKey is KGIXXKOIZQSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-5-10(13)15-7-9-6-12(8(2)3)11(14)16-9/h8-9H,4-7H2,1-3H3.
What are the key properties of (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate?
(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate is sourced from PubChem (CID 14241810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).