N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide

C13H16N2O3 — CID 94208039

IUPACN-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-9(14-10(2)16)11-4-3-5-12(8-11)15-6-7-18-13(15)17/h3-5,8-9H,6-7H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyTVXDMMMBIHYYCH-VIFPVBQESA-N
MW248.28 g/mol
LogP1.84
Rot. Bonds3

About N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide

N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide (PubChem CID 94208039) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide
PubChem CID94208039
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-9(14-10(2)16)11-4-3-5-12(8-11)15-6-7-18-13(15)17/h3-5,8-9H,6-7H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyTVXDMMMBIHYYCH-VIFPVBQESA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9949648
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N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
5-Hexyl-3-m-tolyloxazolidin-2-one
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Ethyl 4-[(4-methylphenyl)amino]-1-piperidinecarboxylate
CID 867182
N-(3-methylphenyl)-3-morpholin-4-ylpropanamide
CID 739956
Butanediamide, N'-(2-hydroxyethyl)-N'-(3-methylphenyl)-
CID 1886508
Cinnamamide, N-(2-hydroxyethyl)-, phenylcarbamate
CID 1715058
2-m-Tolylcarbamoyl-pyrrolidine-1-carboxylic acid isobutyl ester
CID 651520
(S)-2-(3-m-Tolyl-ureido)-propionic acid methyl ester
CID 942396
2-[(Isobutoxycarbonyl)amino]butyl (2,3-dimethylphenyl)carbamate
CID 2971605

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide (CID 94208039) is N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide?
The InChIKey is TVXDMMMBIHYYCH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(14-10(2)16)11-4-3-5-12(8-11)15-6-7-18-13(15)17/h3-5,8-9H,6-7H2,1-2H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide?
N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 94208039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).