3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C25H32FNO4Si — CID 58811472

IUPAC3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[Si](C)(C)OC(CCCC(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H32FNO4Si/c1-18(2)32(3,4)31-23(20-13-15-21(26)16-14-20)11-8-12-24(28)27-22(17-30-25(27)29)19-9-6-5-7-10-19/h5-7,9-10,13-16,18,22-23H,8,11-12,17H2,1-4H3
InChIKeyIMWHEYOZPVEBHR-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.39
Rot. Bonds9

About 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one

3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58811472) has the molecular formula C25H32FNO4Si and a molecular weight of 457.62 g/mol. Its IUPAC name is 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID58811472
Molecular FormulaC25H32FNO4Si
Molecular Weight457.62 g/mol
Exact Mass457.21
IUPAC Name3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[Si](C)(C)OC(CCCC(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H32FNO4Si/c1-18(2)32(3,4)31-23(20-13-15-21(26)16-14-20)11-8-12-24(28)27-22(17-30-25(27)29)19-9-6-5-7-10-19/h5-7,9-10,13-16,18,22-23H,8,11-12,17H2,1-4H3
InChIKeyIMWHEYOZPVEBHR-UHFFFAOYSA-N
XLogP6.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 58811472) is 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)[Si](C)(C)OC(CCCC(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IMWHEYOZPVEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FNO4Si/c1-18(2)32(3,4)31-23(20-13-15-21(26)16-14-20)11-8-12-24(28)27-22(17-30-25(27)29)19-9-6-5-7-10-19/h5-7,9-10,13-16,18,22-23H,8,11-12,17H2,1-4H3.
What are the key properties of 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 457.62 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58811472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).