5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid

C12H16N2O4 — CID 112753445

IUPAC5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESCC(C)C1CC(=O)N(Cc2oncc2C(=O)O)C1
InChIInChI=1S/C12H16N2O4/c1-7(2)8-3-11(15)14(5-8)6-10-9(12(16)17)4-13-18-10/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyNFOQVEKAZQWSQK-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.38
Rot. Bonds4

About 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid

5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753445) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753445
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESCC(C)C1CC(=O)N(Cc2oncc2C(=O)O)C1
InChIInChI=1S/C12H16N2O4/c1-7(2)8-3-11(15)14(5-8)6-10-9(12(16)17)4-13-18-10/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyNFOQVEKAZQWSQK-UHFFFAOYSA-N
XLogP1.38
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (CID 112753445) is 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is CC(C)C1CC(=O)N(Cc2oncc2C(=O)O)C1.
What is the InChIKey of 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is NFOQVEKAZQWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(2)8-3-11(15)14(5-8)6-10-9(12(16)17)4-13-18-10/h4,7-8H,3,5-6H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).