5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one

C19H15ClF5NO2 — CID 22261848

IUPAC5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(CC(F)(F)C(F)(F)F)cc2)C(c2cccc(Cl)c2)O1
InChIInChI=1S/C19H15ClF5NO2/c20-14-3-1-2-13(9-14)16-15(26-17(27)28-16)8-11-4-6-12(7-5-11)10-18(21,22)19(23,24)25/h1-7,9,15-16H,8,10H2,(H,26,27)
InChIKeyMQRWNFKUQHNYMG-UHFFFAOYSA-N
MW419.78 g/mol
LogP5.47
Rot. Bonds5

About 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one

5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22261848) has the molecular formula C19H15ClF5NO2 and a molecular weight of 419.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22261848
Molecular FormulaC19H15ClF5NO2
Molecular Weight419.78 g/mol
Exact Mass419.07
IUPAC Name5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(CC(F)(F)C(F)(F)F)cc2)C(c2cccc(Cl)c2)O1
InChIInChI=1S/C19H15ClF5NO2/c20-14-3-1-2-13(9-14)16-15(26-17(27)28-16)8-11-4-6-12(7-5-11)10-18(21,22)19(23,24)25/h1-7,9,15-16H,8,10H2,(H,26,27)
InChIKeyMQRWNFKUQHNYMG-UHFFFAOYSA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.78
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-(4-(Trifluoromethyl)phenyl)-1,3-oxazolidin-2-one
CID 59287351
13-Chloro-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-4-one
CID 44323924
12-Chloro-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-4-one
CID 44323926
benzyl N-[1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutan-2-yl]carbamate
CID 10110785
4-Methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 21978690
(4RS,5SR)-5-(4-fluorophenyl)-4-((2-(trifluoromethyl)phenyl)methyl)-1,3-oxazolidin-2-one
CID 22261400
4-[[4-(Difluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 22261435
(4RS,5SR)-4-[3-(1,2-difluoro-2-methylpropyl)benzyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 22261454
(4RS,5SR)-4-[4-(tert-butyl)benzyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 22261568
(4RS,5SR)-5-(3-chlorophenyl)-4-[4-(1,1-difluoro-2,2-dimethylpropyl)benzyl]-1,3-oxazolidin-2-one
CID 22261594
(4RS,5SR)-5-(4-fluorophenyl)-4-((3-fluoro-4-(trifluoromethyl)phenyl)methyl)-1,3-oxazolidin-2-one
CID 22261622
(4RS,5SR)-4-[3-(1,1-difluoroethyl)benzyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 22261676

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22261848) is 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(CC(F)(F)C(F)(F)F)cc2)C(c2cccc(Cl)c2)O1.
What is the InChIKey of 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is MQRWNFKUQHNYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF5NO2/c20-14-3-1-2-13(9-14)16-15(26-17(27)28-16)8-11-4-6-12(7-5-11)10-18(21,22)19(23,24)25/h1-7,9,15-16H,8,10H2,(H,26,27).
What are the key properties of 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 419.78 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-[[4-(2,2,3,3,3-pentafluoropropyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).