5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid

C18H13F4NO4 — CID 22261825

IUPAC5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F4NO4/c19-13-7-3-11(4-8-13)15-14(23(16(24)25)17(26)27-15)9-10-1-5-12(6-2-10)18(20,21)22/h1-8,14-15H,9H2,(H,24,25)
InChIKeyNVSVSYSDQBSDRG-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.63
Rot. Bonds3

About 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid

5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid (PubChem CID 22261825) has the molecular formula C18H13F4NO4 and a molecular weight of 383.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
PubChem CID22261825
Molecular FormulaC18H13F4NO4
Molecular Weight383.30 g/mol
Exact Mass383.08
IUPAC Name5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F4NO4/c19-13-7-3-11(4-8-13)15-14(23(16(24)25)17(26)27-15)9-10-1-5-12(6-2-10)18(20,21)22/h1-8,14-15H,9H2,(H,24,25)
InChIKeyNVSVSYSDQBSDRG-UHFFFAOYSA-N
XLogP4.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid (CID 22261825) is 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid is O=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is NVSVSYSDQBSDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO4/c19-13-7-3-11(4-8-13)15-14(23(16(24)25)17(26)27-15)9-10-1-5-12(6-2-10)18(20,21)22/h1-8,14-15H,9H2,(H,24,25).
What are the key properties of 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 383.30 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 22261825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).