3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C18H16FNO3 — CID 166438673

IUPAC3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c19-15-8-6-14(7-9-15)16(12-13-4-2-1-3-5-13)17(21)20-10-11-23-18(20)22/h1-9,16H,10-12H2
InChIKeyWSTSKQWHFNHVKQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.13
Rot. Bonds4

About 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one

3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 166438673) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID166438673
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c19-15-8-6-14(7-9-15)16(12-13-4-2-1-3-5-13)17(21)20-10-11-23-18(20)22/h1-9,16H,10-12H2
InChIKeyWSTSKQWHFNHVKQ-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
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(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-(morpholin-4-yl)-4-oxobutanamide
CID 23647140
1-Morpholino-2,2-diphenylethanone
CID 229280
Methyl 2-oxo-4-phenyl-1-pyrrolidinecarboxylate
CID 2843063
3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 166438673) is 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)C(Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is WSTSKQWHFNHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-15-8-6-14(7-9-15)16(12-13-4-2-1-3-5-13)17(21)20-10-11-23-18(20)22/h1-9,16H,10-12H2.
What are the key properties of 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 313.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166438673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).