3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one

C12H11F3N2O3 — CID 154927492

IUPAC3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1cncc(C(F)(F)F)c1)N1CCOC1=O
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)9-5-8(6-16-7-9)1-2-10(18)17-3-4-20-11(17)19/h5-7H,1-4H2
InChIKeyHEXYZJHAVUOVHS-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.01
Rot. Bonds3

About 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one

3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 154927492) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID154927492
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1cncc(C(F)(F)F)c1)N1CCOC1=O
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)9-5-8(6-16-7-9)1-2-10(18)17-3-4-20-11(17)19/h5-7H,1-4H2
InChIKeyHEXYZJHAVUOVHS-UHFFFAOYSA-N
XLogP2.01
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one (CID 154927492) is 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one is O=C(CCc1cncc(C(F)(F)F)c1)N1CCOC1=O.
What is the InChIKey of 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HEXYZJHAVUOVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)9-5-8(6-16-7-9)1-2-10(18)17-3-4-20-11(17)19/h5-7H,1-4H2.
What are the key properties of 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one?
3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 288.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154927492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).