5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

C17H12F5NO2 — CID 22261622

IUPAC5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)c(F)c2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H12F5NO2/c18-11-4-2-10(3-5-11)15-14(23-16(24)25-15)8-9-1-6-12(13(19)7-9)17(20,21)22/h1-7,14-15H,8H2,(H,23,24)
InChIKeyIQHWEPKVUBMSNC-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.38
Rot. Bonds3

About 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22261622) has the molecular formula C17H12F5NO2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22261622
Molecular FormulaC17H12F5NO2
Molecular Weight357.28 g/mol
Exact Mass357.08
IUPAC Name5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)c(F)c2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H12F5NO2/c18-11-4-2-10(3-5-11)15-14(23-16(24)25-15)8-9-1-6-12(13(19)7-9)17(20,21)22/h1-7,14-15H,8H2,(H,23,24)
InChIKeyIQHWEPKVUBMSNC-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-1,3-oxazolidin-2-one
CID 202193
(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69083336
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174
5,5-Diphenyl-1,3-oxazolidin-2-one
CID 349675
(4S,5R)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 11540938
benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate
CID 90679319
(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone
CID 2733812

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22261622) is 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(C(F)(F)F)c(F)c2)C(c2ccc(F)cc2)O1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is IQHWEPKVUBMSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5NO2/c18-11-4-2-10(3-5-11)15-14(23-16(24)25-15)8-9-1-6-12(13(19)7-9)17(20,21)22/h1-7,14-15H,8H2,(H,23,24).
What are the key properties of 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 357.28 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).