3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C20H20FNO3 — CID 66933021

IUPAC3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1[C@@H]1CCCC(c2ccc(F)cc2)O1
InChIInChI=1S/C20H20FNO3/c21-16-11-9-15(10-12-16)18-7-4-8-19(25-18)22-17(13-24-20(22)23)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-19H,4,7-8,13H2/t17?,18?,19-/m0/s1
InChIKeyOTDSOORMGLAXKV-ACBHZAAOSA-N
MW341.38 g/mol
LogP4.59
Rot. Bonds3

About 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one

3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 66933021) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID66933021
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1[C@@H]1CCCC(c2ccc(F)cc2)O1
InChIInChI=1S/C20H20FNO3/c21-16-11-9-15(10-12-16)18-7-4-8-19(25-18)22-17(13-24-20(22)23)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-19H,4,7-8,13H2/t17?,18?,19-/m0/s1
InChIKeyOTDSOORMGLAXKV-ACBHZAAOSA-N
XLogP4.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 66933021) is 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OCC(c2ccccc2)N1[C@@H]1CCCC(c2ccc(F)cc2)O1.
What is the InChIKey of 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is OTDSOORMGLAXKV-ACBHZAAOSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-16-11-9-15(10-12-16)18-7-4-8-19(25-18)22-17(13-24-20(22)23)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-19H,4,7-8,13H2/t17?,18?,19-/m0/s1.
What are the key properties of 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 341.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 66933021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).