N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C13H16N2O3 — CID 14011415

IUPACN-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cccc(C)c2)C(=O)O1
InChIInChI=1S/C13H16N2O3/c1-9-4-3-5-11(6-9)15-8-12(18-13(15)17)7-14-10(2)16/h3-6,12H,7-8H2,1-2H3,(H,14,16)
InChIKeyVQWJAZNMOSMMEE-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.46
Rot. Bonds3

About N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011415) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011415
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cccc(C)c2)C(=O)O1
InChIInChI=1S/C13H16N2O3/c1-9-4-3-5-11(6-9)15-8-12(18-13(15)17)7-14-10(2)16/h3-6,12H,7-8H2,1-2H3,(H,14,16)
InChIKeyVQWJAZNMOSMMEE-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide 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 N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011415) is N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cccc(C)c2)C(=O)O1.
What is the InChIKey of N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VQWJAZNMOSMMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-4-3-5-11(6-9)15-8-12(18-13(15)17)7-14-10(2)16/h3-6,12H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).