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

C16H22N2O4 — CID 14809125

IUPACN-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCCC(O)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1
InChIInChI=1S/C16H22N2O4/c1-3-4-15(20)12-5-7-13(8-6-12)18-10-14(22-16(18)21)9-17-11(2)19/h5-8,14-15,20H,3-4,9-10H2,1-2H3,(H,17,19)/t14-,15?/m0/s1
InChIKeyHULWJAWWRJOURG-MLCCFXAWSA-N
MW306.36 g/mol
LogP1.98
Rot. Bonds6

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

N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14809125) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14809125
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCCC(O)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1
InChIInChI=1S/C16H22N2O4/c1-3-4-15(20)12-5-7-13(8-6-12)18-10-14(22-16(18)21)9-17-11(2)19/h5-8,14-15,20H,3-4,9-10H2,1-2H3,(H,17,19)/t14-,15?/m0/s1
InChIKeyHULWJAWWRJOURG-MLCCFXAWSA-N
XLogP1.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Obscurolide A3
CID 5373081
N-[[(5S)-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 60045898
Cambridge id 5542849
CID 54690091
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-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 164623315
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-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14809125) is N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CCCC(O)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1.
What is the InChIKey of N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HULWJAWWRJOURG-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-4-15(20)12-5-7-13(8-6-12)18-10-14(22-16(18)21)9-17-11(2)19/h5-8,14-15,20H,3-4,9-10H2,1-2H3,(H,17,19)/t14-,15?/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 306.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(1-hydroxybutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14809125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).