5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

C16H12ClF3N2O2 — CID 22262075

IUPAC5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2cccc(Cl)n2)O1
InChIInChI=1S/C16H12ClF3N2O2/c17-13-3-1-2-11(21-13)14-12(22-15(23)24-14)8-9-4-6-10(7-5-9)16(18,19)20/h1-7,12,14H,8H2,(H,22,23)
InChIKeyIHVCSWODUUJEJV-UHFFFAOYSA-N
MW356.73 g/mol
LogP4.15
Rot. Bonds3

About 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22262075) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22262075
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2cccc(Cl)n2)O1
InChIInChI=1S/C16H12ClF3N2O2/c17-13-3-1-2-11(21-13)14-12(22-15(23)24-14)8-9-4-6-10(7-5-9)16(18,19)20/h1-7,12,14H,8H2,(H,22,23)
InChIKeyIHVCSWODUUJEJV-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22262075) is 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2cccc(Cl)n2)O1.
What is the InChIKey of 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is IHVCSWODUUJEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-13-3-1-2-11(21-13)14-12(22-15(23)24-14)8-9-4-6-10(7-5-9)16(18,19)20/h1-7,12,14H,8H2,(H,22,23).
What are the key properties of 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 356.73 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22262075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).