1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one

C13H20N2O3 — CID 14853736

IUPAC1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one
SMILESCC1C(=O)N(c2ncc(C(C)(C)C)o2)C(O)C1C
InChIInChI=1S/C13H20N2O3/c1-7-8(2)11(17)15(10(7)16)12-14-6-9(18-12)13(3,4)5/h6-8,10,16H,1-5H3
InChIKeyVWRSCRQMRPMYBN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.91
Rot. Bonds1

About 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one

1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one (PubChem CID 14853736) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one
PubChem CID14853736
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one
SMILESCC1C(=O)N(c2ncc(C(C)(C)C)o2)C(O)C1C
InChIInChI=1S/C13H20N2O3/c1-7-8(2)11(17)15(10(7)16)12-14-6-9(18-12)13(3,4)5/h6-8,10,16H,1-5H3
InChIKeyVWRSCRQMRPMYBN-UHFFFAOYSA-N
XLogP1.91
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one?
The IUPAC name of 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one (CID 14853736) is 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one is CC1C(=O)N(c2ncc(C(C)(C)C)o2)C(O)C1C.
What is the InChIKey of 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one?
The InChIKey is VWRSCRQMRPMYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-7-8(2)11(17)15(10(7)16)12-14-6-9(18-12)13(3,4)5/h6-8,10,16H,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one?
1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one has a molecular weight of 252.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 14853736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).