[(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol

C15H23NO2 — CID 125494670

IUPAC[(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol
SMILESCC(C)CCN1C[C@@H](CO)O[C@H]1c1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(2)8-9-16-10-14(11-17)18-15(16)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyACUIXYNWTNRCGI-GJZGRUSLSA-N
MW249.35 g/mol
LogP2.42
Rot. Bonds5

About [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol

[(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol (PubChem CID 125494670) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol
PubChem CID125494670
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol
SMILESCC(C)CCN1C[C@@H](CO)O[C@H]1c1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(2)8-9-16-10-14(11-17)18-15(16)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyACUIXYNWTNRCGI-GJZGRUSLSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol (CID 125494670) is [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol is CC(C)CCN1C[C@@H](CO)O[C@H]1c1ccccc1.
What is the InChIKey of [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol?
The InChIKey is ACUIXYNWTNRCGI-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)8-9-16-10-14(11-17)18-15(16)13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol?
[(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 125494670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).