3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one

C10H9F3N2O2 — CID 141342002

IUPAC3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)8-5-7(1-2-14-8)6-15-3-4-17-9(15)16/h1-2,5H,3-4,6H2
InChIKeyQSZIOIDPSBMEOW-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.05
Rot. Bonds2

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

3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 141342002) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one
PubChem CID141342002
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)8-5-7(1-2-14-8)6-15-3-4-17-9(15)16/h1-2,5H,3-4,6H2
InChIKeyQSZIOIDPSBMEOW-UHFFFAOYSA-N
XLogP2.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one (CID 141342002) is 3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is QSZIOIDPSBMEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)8-5-7(1-2-14-8)6-15-3-4-17-9(15)16/h1-2,5H,3-4,6H2.
What are the key properties of 3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one?
3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 246.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141342002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).