N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H20N2O4 — CID 18713384

IUPACN-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC#CC(O)c1c(C)cc(N2CC(CNC(C)=O)OC2=O)cc1C
InChIInChI=1S/C17H20N2O4/c1-5-15(21)16-10(2)6-13(7-11(16)3)19-9-14(23-17(19)22)8-18-12(4)20/h1,6-7,14-15,21H,8-9H2,2-4H3,(H,18,20)
InChIKeySTPYDBWUMYSKTP-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.43
Rot. Bonds4

About N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 18713384) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID18713384
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC#CC(O)c1c(C)cc(N2CC(CNC(C)=O)OC2=O)cc1C
InChIInChI=1S/C17H20N2O4/c1-5-15(21)16-10(2)6-13(7-11(16)3)19-9-14(23-17(19)22)8-18-12(4)20/h1,6-7,14-15,21H,8-9H2,2-4H3,(H,18,20)
InChIKeySTPYDBWUMYSKTP-UHFFFAOYSA-N
XLogP1.43
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-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

Related Compounds

N-[[3-(3,5-dimethyl-4-prop-2-ynoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713381
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-[3,5-dimethyl-4-(3-methylazetidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54057134
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid
CID 54268401
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713383
N-[[(5S)-3-(3-hydroxy-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57061555
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 18713384) is N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C#CC(O)c1c(C)cc(N2CC(CNC(C)=O)OC2=O)cc1C.
What is the InChIKey of N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is STPYDBWUMYSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-5-15(21)16-10(2)6-13(7-11(16)3)19-9-14(23-17(19)22)8-18-12(4)20/h1,6-7,14-15,21H,8-9H2,2-4H3,(H,18,20).
What are the key properties of N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 18713384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).