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

C18H15F3N2O3 — CID 144785898

IUPAC4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1cncc(C(F)(F)F)c1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)14-8-12(9-22-10-14)6-7-16(24)23-15(11-26-17(23)25)13-4-2-1-3-5-13/h1-5,8-10,15H,6-7,11H2
InChIKeyNYTDTLZBFTUHHX-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.75
Rot. Bonds4

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

4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 144785898) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID144785898
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1cncc(C(F)(F)F)c1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)14-8-12(9-22-10-14)6-7-16(24)23-15(11-26-17(23)25)13-4-2-1-3-5-13/h1-5,8-10,15H,6-7,11H2
InChIKeyNYTDTLZBFTUHHX-UHFFFAOYSA-N
XLogP3.75
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one (CID 144785898) is 4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one is O=C(CCc1cncc(C(F)(F)F)c1)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is NYTDTLZBFTUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-18(20,21)14-8-12(9-22-10-14)6-7-16(24)23-15(11-26-17(23)25)13-4-2-1-3-5-13/h1-5,8-10,15H,6-7,11H2.
What are the key properties of 4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one?
4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 364.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 144785898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).