[(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate

C12H19NO4 — CID 101461604

IUPAC[(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate
SMILESCC(C)CC(=O)OC(C)/C=C/N1CCOC1=O
InChIInChI=1S/C12H19NO4/c1-9(2)8-11(14)17-10(3)4-5-13-6-7-16-12(13)15/h4-5,9-10H,6-8H2,1-3H3/b5-4+
InChIKeyZVAOAMNWXGHAPD-SNAWJCMRSA-N
MW241.29 g/mol
LogP1.93
Rot. Bonds5

About [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate

[(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate (PubChem CID 101461604) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate.

Molecular Properties

Compound Name[(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate
PubChem CID101461604
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name[(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate
SMILESCC(C)CC(=O)OC(C)/C=C/N1CCOC1=O
InChIInChI=1S/C12H19NO4/c1-9(2)8-11(14)17-10(3)4-5-13-6-7-16-12(13)15/h4-5,9-10H,6-8H2,1-3H3/b5-4+
InChIKeyZVAOAMNWXGHAPD-SNAWJCMRSA-N
XLogP1.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate?
The IUPAC name of [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate (CID 101461604) is [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate.
What is the SMILES notation for [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate?
The canonical SMILES for [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate is CC(C)CC(=O)OC(C)/C=C/N1CCOC1=O.
What is the InChIKey of [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate?
The InChIKey is ZVAOAMNWXGHAPD-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H19NO4/c1-9(2)8-11(14)17-10(3)4-5-13-6-7-16-12(13)15/h4-5,9-10H,6-8H2,1-3H3/b5-4+.
What are the key properties of [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate?
[(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate has a molecular weight of 241.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-3-en-2-yl] 3-methylbutanoate is sourced from PubChem (CID 101461604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).