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

C14H16N2O3 — CID 14011332

IUPACN-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC=Cc1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-3-11-4-6-12(7-5-11)16-9-13(19-14(16)18)8-15-10(2)17/h3-7,13H,1,8-9H2,2H3,(H,15,17)/t13-/m0/s1
InChIKeyKGTTWGJGZYYXRY-ZDUSSCGKSA-N
MW260.29 g/mol
LogP1.79
Rot. Bonds4

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

N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011332) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011332
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC=Cc1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-3-11-4-6-12(7-5-11)16-9-13(19-14(16)18)8-15-10(2)17/h3-7,13H,1,8-9H2,2H3,(H,15,17)/t13-/m0/s1
InChIKeyKGTTWGJGZYYXRY-ZDUSSCGKSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.79
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-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011332) is N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C=Cc1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1.
What is the InChIKey of N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is KGTTWGJGZYYXRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-11-4-6-12(7-5-11)16-9-13(19-14(16)18)8-15-10(2)17/h3-7,13H,1,8-9H2,2H3,(H,15,17)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 260.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(4-ethenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).