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

C17H13F4NO3 — CID 22262077

IUPAC5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cccc(OC(F)(F)F)c2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H13F4NO3/c18-12-6-4-11(5-7-12)15-14(22-16(23)24-15)9-10-2-1-3-13(8-10)25-17(19,20)21/h1-8,14-15H,9H2,(H,22,23)
InChIKeyPVMBHPQKUMXCTR-UHFFFAOYSA-N
MW355.29 g/mol
LogP4.12
Rot. Bonds4

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

5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22262077) has the molecular formula C17H13F4NO3 and a molecular weight of 355.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22262077
Molecular FormulaC17H13F4NO3
Molecular Weight355.29 g/mol
Exact Mass355.08
IUPAC Name5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cccc(OC(F)(F)F)c2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H13F4NO3/c18-12-6-4-11(5-7-12)15-14(22-16(23)24-15)9-10-2-1-3-13(8-10)25-17(19,20)21/h1-8,14-15H,9H2,(H,22,23)
InChIKeyPVMBHPQKUMXCTR-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22262077) is 5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2cccc(OC(F)(F)F)c2)C(c2ccc(F)cc2)O1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is PVMBHPQKUMXCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO3/c18-12-6-4-11(5-7-12)15-14(22-16(23)24-15)9-10-2-1-3-13(8-10)25-17(19,20)21/h1-8,14-15H,9H2,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 355.29 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22262077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).