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

C13H16N2O3 — CID 14011307

IUPACN-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C13H16N2O3/c1-9-3-5-11(6-4-9)15-8-12(18-13(15)17)7-14-10(2)16/h3-6,12H,7-8H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyBCBHZUHBNUKJEG-LBPRGKRZSA-N
MW248.28 g/mol
LogP1.46
Rot. Bonds3

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

N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011307) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011307
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C13H16N2O3/c1-9-3-5-11(6-4-9)15-8-12(18-13(15)17)7-14-10(2)16/h3-6,12H,7-8H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyBCBHZUHBNUKJEG-LBPRGKRZSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011307) is N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BCBHZUHBNUKJEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-3-5-11(6-4-9)15-8-12(18-13(15)17)7-14-10(2)16/h3-6,12H,7-8H2,1-2H3,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-(4-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-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).