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

C23H24FNO5 — CID 66932901

IUPAC(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCCC1(c2ccc(F)cc2)OCCCO1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C23H24FNO5/c24-19-11-9-18(10-12-19)23(29-14-5-15-30-23)13-4-8-21(26)25-20(16-28-22(25)27)17-6-2-1-3-7-17/h1-3,6-7,9-12,20H,4-5,8,13-16H2/t20-/m1/s1
InChIKeyAXPNMAAKJVOEFZ-HXUWFJFHSA-N
MW413.45 g/mol
LogP4.31
Rot. Bonds6

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

(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 66932901) has the molecular formula C23H24FNO5 and a molecular weight of 413.45 g/mol. Its IUPAC name is (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID66932901
Molecular FormulaC23H24FNO5
Molecular Weight413.45 g/mol
Exact Mass413.16
IUPAC Name(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCCC1(c2ccc(F)cc2)OCCCO1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C23H24FNO5/c24-19-11-9-18(10-12-19)23(29-14-5-15-30-23)13-4-8-21(26)25-20(16-28-22(25)27)17-6-2-1-3-7-17/h1-3,6-7,9-12,20H,4-5,8,13-16H2/t20-/m1/s1
InChIKeyAXPNMAAKJVOEFZ-HXUWFJFHSA-N
XLogP4.31
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 66932901) is (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CCCC1(c2ccc(F)cc2)OCCCO1)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is AXPNMAAKJVOEFZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24FNO5/c24-19-11-9-18(10-12-19)23(29-14-5-15-30-23)13-4-8-21(26)25-20(16-28-22(25)27)17-6-2-1-3-7-17/h1-3,6-7,9-12,20H,4-5,8,13-16H2/t20-/m1/s1.
What are the key properties of (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 413.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 66932901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).