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

C17H13ClF3NO2 — CID 22261793

IUPAC5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H13ClF3NO2/c18-13-7-3-11(4-8-13)15-14(22-16(23)24-15)9-10-1-5-12(6-2-10)17(19,20)21/h1-8,14-15H,9H2,(H,22,23)
InChIKeySIXUARZYMOKGIQ-UHFFFAOYSA-N
MW355.74 g/mol
LogP4.75
Rot. Bonds3

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

5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22261793) has the molecular formula C17H13ClF3NO2 and a molecular weight of 355.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22261793
Molecular FormulaC17H13ClF3NO2
Molecular Weight355.74 g/mol
Exact Mass355.06
IUPAC Name5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H13ClF3NO2/c18-13-7-3-11(4-8-13)15-14(22-16(23)24-15)9-10-1-5-12(6-2-10)17(19,20)21/h1-8,14-15H,9H2,(H,22,23)
InChIKeySIXUARZYMOKGIQ-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.74
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22261793) is 5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2ccc(Cl)cc2)O1.
What is the InChIKey of 5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is SIXUARZYMOKGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO2/c18-13-7-3-11(4-8-13)15-14(22-16(23)24-15)9-10-1-5-12(6-2-10)17(19,20)21/h1-8,14-15H,9H2,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 355.74 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).