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

C16H22N2O4 — CID 14809127

IUPACN-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(O)C(C)C)cc2)C(=O)O1
InChIInChI=1S/C16H22N2O4/c1-10(2)15(20)12-4-6-13(7-5-12)18-9-14(22-16(18)21)8-17-11(3)19/h4-7,10,14-15,20H,8-9H2,1-3H3,(H,17,19)/t14-,15?/m0/s1
InChIKeyWYJCSLDYAUQSKN-MLCCFXAWSA-N
MW306.36 g/mol
LogP1.84
Rot. Bonds5

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

N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14809127) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14809127
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(O)C(C)C)cc2)C(=O)O1
InChIInChI=1S/C16H22N2O4/c1-10(2)15(20)12-4-6-13(7-5-12)18-9-14(22-16(18)21)8-17-11(3)19/h4-7,10,14-15,20H,8-9H2,1-3H3,(H,17,19)/t14-,15?/m0/s1
InChIKeyWYJCSLDYAUQSKN-MLCCFXAWSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14809127) is N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C(O)C(C)C)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WYJCSLDYAUQSKN-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10(2)15(20)12-4-6-13(7-5-12)18-9-14(22-16(18)21)8-17-11(3)19/h4-7,10,14-15,20H,8-9H2,1-3H3,(H,17,19)/t14-,15?/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(1-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 306.36 g/mol, XLogP of 1.84, 5 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-hydroxy-2-methylpropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14809127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).