5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C17H16FNO3 — CID 132574281

IUPAC5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(F)(Cc3ccccc3)OC2=O)cc1
InChIInChI=1S/C17H16FNO3/c1-21-15-9-7-14(8-10-15)19-12-17(18,22-16(19)20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyPIBFQAQZZNXHBH-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.56
Rot. Bonds4

About 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 132574281) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID132574281
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(F)(Cc3ccccc3)OC2=O)cc1
InChIInChI=1S/C17H16FNO3/c1-21-15-9-7-14(8-10-15)19-12-17(18,22-16(19)20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyPIBFQAQZZNXHBH-UHFFFAOYSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 132574281) is 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2CC(F)(Cc3ccccc3)OC2=O)cc1.
What is the InChIKey of 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is PIBFQAQZZNXHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-21-15-9-7-14(8-10-15)19-12-17(18,22-16(19)20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 301.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 132574281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).