N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C13H16N2O4 — CID 14011338

IUPACN-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(CO)cc2)C(=O)O1
InChIInChI=1S/C13H16N2O4/c1-9(17)14-6-12-7-15(13(18)19-12)11-4-2-10(8-16)3-5-11/h2-5,12,16H,6-8H2,1H3,(H,14,17)
InChIKeyXJJSLDLLKPSZFW-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.64
Rot. Bonds4

About N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011338) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011338
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(CO)cc2)C(=O)O1
InChIInChI=1S/C13H16N2O4/c1-9(17)14-6-12-7-15(13(18)19-12)11-4-2-10(8-16)3-5-11/h2-5,12,16H,6-8H2,1H3,(H,14,17)
InChIKeyXJJSLDLLKPSZFW-UHFFFAOYSA-N
XLogP0.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 60045898
Obscurolide A3
CID 5373081
4-hydroxy-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 54690091
4-hydroxy-2-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54690845
Mirabegron (m5)
CID 90376256
(5R)-3-[4-(2-hydroxyethyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 44280829
4-hydroxy-2-oxo-1-propyl-N-(tetrahydrofuran-2-ylmethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54679779
N-((S)-3-{4-[(Z)-2-Bromo-2-(3-hydroxymethyl-phenyl)-vinyl]-3-fluoro-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
CID 10298409
N-[[(5S)-3-[3-fluoro-4-[3-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57545489
N-[3-(2-Fluoro-4'-hydroxymethyl-biphenyl-4-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 21907449
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;hydrochloride
CID 118753371
ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 3237098

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011338) is N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(CO)cc2)C(=O)O1.
What is the InChIKey of N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is XJJSLDLLKPSZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(17)14-6-12-7-15(13(18)19-12)11-4-2-10(8-16)3-5-11/h2-5,12,16H,6-8H2,1H3,(H,14,17).
What are the key properties of N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).