N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C15H17F3N2O3 — CID 72878771

IUPACN-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H17F3N2O3/c1-2-19(10-15(16,17)18)13(21)8-20-12(9-23-14(20)22)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-/m1/s1
InChIKeyDUKIRPUCCUZPQM-GFCCVEGCSA-N
MW330.31 g/mol
LogP2.59
Rot. Bonds5

About N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 72878771) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID72878771
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC NameN-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H17F3N2O3/c1-2-19(10-15(16,17)18)13(21)8-20-12(9-23-14(20)22)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-/m1/s1
InChIKeyDUKIRPUCCUZPQM-GFCCVEGCSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 72878771) is N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)CN1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DUKIRPUCCUZPQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-2-19(10-15(16,17)18)13(21)8-20-12(9-23-14(20)22)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-/m1/s1.
What are the key properties of N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 72878771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).