1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one

C16H20F3NO2 — CID 15614618

IUPAC1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one
SMILESCCCC(=O)N1CC(CC)OC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-3-6-14(21)20-10-13(4-2)22-15(20)11-7-5-8-12(9-11)16(17,18)19/h5,7-9,13,15H,3-4,6,10H2,1-2H3
InChIKeyHVGAICVKQPTKRN-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.14
Rot. Bonds4

About 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one

1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one (PubChem CID 15614618) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one
PubChem CID15614618
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one
SMILESCCCC(=O)N1CC(CC)OC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-3-6-14(21)20-10-13(4-2)22-15(20)11-7-5-8-12(9-11)16(17,18)19/h5,7-9,13,15H,3-4,6,10H2,1-2H3
InChIKeyHVGAICVKQPTKRN-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one?
The IUPAC name of 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one (CID 15614618) is 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one.
What is the SMILES notation for 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one?
The canonical SMILES for 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one is CCCC(=O)N1CC(CC)OC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one?
The InChIKey is HVGAICVKQPTKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-3-6-14(21)20-10-13(4-2)22-15(20)11-7-5-8-12(9-11)16(17,18)19/h5,7-9,13,15H,3-4,6,10H2,1-2H3.
What are the key properties of 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one?
1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one has a molecular weight of 315.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]butan-1-one is sourced from PubChem (CID 15614618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).