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

C16H12ClF3N2O3 — CID 170609039

IUPAC3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(OCc2c(Cl)cccc2C(F)(F)F)cn1
InChIInChI=1S/C16H12ClF3N2O3/c17-13-3-1-2-12(16(18,19)20)11(13)9-25-10-4-5-14(21-8-10)22-6-7-24-15(22)23/h1-5,8H,6-7,9H2
InChIKeyOTLVTODGUJFYAE-UHFFFAOYSA-N
MW372.73 g/mol
LogP4.29
Rot. Bonds4

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

3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 170609039) has the molecular formula C16H12ClF3N2O3 and a molecular weight of 372.73 g/mol. Its IUPAC name is 3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID170609039
Molecular FormulaC16H12ClF3N2O3
Molecular Weight372.73 g/mol
Exact Mass372.05
IUPAC Name3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(OCc2c(Cl)cccc2C(F)(F)F)cn1
InChIInChI=1S/C16H12ClF3N2O3/c17-13-3-1-2-12(16(18,19)20)11(13)9-25-10-4-5-14(21-8-10)22-6-7-24-15(22)23/h1-5,8H,6-7,9H2
InChIKeyOTLVTODGUJFYAE-UHFFFAOYSA-N
XLogP4.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one (CID 170609039) is 3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(OCc2c(Cl)cccc2C(F)(F)F)cn1.
What is the InChIKey of 3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is OTLVTODGUJFYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3/c17-13-3-1-2-12(16(18,19)20)11(13)9-25-10-4-5-14(21-8-10)22-6-7-24-15(22)23/h1-5,8H,6-7,9H2.
What are the key properties of 3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one?
3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 372.73 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 170609039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).