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

C18H18FNO3 — CID 141482652

IUPAC5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(F)(C(C)c3ccccc3)OC2=O)cc1
InChIInChI=1S/C18H18FNO3/c1-13(14-6-4-3-5-7-14)18(19)12-20(17(21)23-18)15-8-10-16(22-2)11-9-15/h3-11,13H,12H2,1-2H3
InChIKeyZYDVABOIFHDYMS-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.12
Rot. Bonds4

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

5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 141482652) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID141482652
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(F)(C(C)c3ccccc3)OC2=O)cc1
InChIInChI=1S/C18H18FNO3/c1-13(14-6-4-3-5-7-14)18(19)12-20(17(21)23-18)15-8-10-16(22-2)11-9-15/h3-11,13H,12H2,1-2H3
InChIKeyZYDVABOIFHDYMS-UHFFFAOYSA-N
XLogP4.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one (CID 141482652) is 5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one is COc1ccc(N2CC(F)(C(C)c3ccccc3)OC2=O)cc1.
What is the InChIKey of 5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is ZYDVABOIFHDYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-13(14-6-4-3-5-7-14)18(19)12-20(17(21)23-18)15-8-10-16(22-2)11-9-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one?
5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 315.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 141482652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).