[(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate

C11H14N2O4 — CID 97085559

IUPAC[(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCC(C)c1ocnc1C(=O)O[C@H]1CNC(=O)C1
InChIInChI=1S/C11H14N2O4/c1-6(2)10-9(13-5-16-10)11(15)17-7-3-8(14)12-4-7/h5-7H,3-4H2,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyVWFCKKJZYFJZHO-SSDOTTSWSA-N
MW238.24 g/mol
LogP0.84
Rot. Bonds3

About [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate

[(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 97085559) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate
PubChem CID97085559
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCC(C)c1ocnc1C(=O)O[C@H]1CNC(=O)C1
InChIInChI=1S/C11H14N2O4/c1-6(2)10-9(13-5-16-10)11(15)17-7-3-8(14)12-4-7/h5-7H,3-4H2,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyVWFCKKJZYFJZHO-SSDOTTSWSA-N
XLogP0.84
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate (CID 97085559) is [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate is CC(C)c1ocnc1C(=O)O[C@H]1CNC(=O)C1.
What is the InChIKey of [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is VWFCKKJZYFJZHO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(2)10-9(13-5-16-10)11(15)17-7-3-8(14)12-4-7/h5-7H,3-4H2,1-2H3,(H,12,14)/t7-/m1/s1.
What are the key properties of [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate?
[(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-oxopyrrolidin-3-yl] 5-propan-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 97085559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).