3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide

C16H22N2O4 — CID 4916356

IUPAC3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)OC(C)(C)C2(C)O)cc1
InChIInChI=1S/C16H22N2O4/c1-11-5-7-12(8-6-11)17-13(19)9-10-18-14(20)22-15(2,3)16(18,4)21/h5-8,21H,9-10H2,1-4H3,(H,17,19)
InChIKeyUXOFBIJFHSXZIN-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.26
Rot. Bonds4

About 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide

3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide (PubChem CID 4916356) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide
PubChem CID4916356
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)OC(C)(C)C2(C)O)cc1
InChIInChI=1S/C16H22N2O4/c1-11-5-7-12(8-6-11)17-13(19)9-10-18-14(20)22-15(2,3)16(18,4)21/h5-8,21H,9-10H2,1-4H3,(H,17,19)
InChIKeyUXOFBIJFHSXZIN-UHFFFAOYSA-N
XLogP2.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide 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 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide (CID 4916356) is 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN2C(=O)OC(C)(C)C2(C)O)cc1.
What is the InChIKey of 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is UXOFBIJFHSXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-5-7-12(8-6-11)17-13(19)9-10-18-14(20)22-15(2,3)16(18,4)21/h5-8,21H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide?
3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 306.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 4916356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).