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

C22H22FNO5 — CID 24983530

IUPAC(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCCC1(c2ccc(F)cc2)OCCO1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C22H22FNO5/c23-18-10-8-17(9-11-18)22(28-13-14-29-22)12-4-7-20(25)24-19(15-27-21(24)26)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2/t19-/m1/s1
InChIKeyGXIZXZMGONPTAB-LJQANCHMSA-N
MW399.42 g/mol
LogP3.92
Rot. Bonds6

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

(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 24983530) has the molecular formula C22H22FNO5 and a molecular weight of 399.42 g/mol. Its IUPAC name is (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID24983530
Molecular FormulaC22H22FNO5
Molecular Weight399.42 g/mol
Exact Mass399.15
IUPAC Name(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCCC1(c2ccc(F)cc2)OCCO1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C22H22FNO5/c23-18-10-8-17(9-11-18)22(28-13-14-29-22)12-4-7-20(25)24-19(15-27-21(24)26)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2/t19-/m1/s1
InChIKeyGXIZXZMGONPTAB-LJQANCHMSA-N
XLogP3.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.92
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-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 24983530) is (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CCCC1(c2ccc(F)cc2)OCCO1)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GXIZXZMGONPTAB-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22FNO5/c23-18-10-8-17(9-11-18)22(28-13-14-29-22)12-4-7-20(25)24-19(15-27-21(24)26)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2/t19-/m1/s1.
What are the key properties of (4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 399.42 g/mol, XLogP of 3.92, 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-dioxolan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24983530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).