4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one

C14H14F3NO4 — CID 18003455

IUPAC4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(COCC(F)(F)F)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C14H14F3NO4/c15-14(16,17)9-21-8-12(19)18-11(7-22-13(18)20)6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyOXPBXCOLYNIKOP-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.16
Rot. Bonds5

About 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one

4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one (PubChem CID 18003455) has the molecular formula C14H14F3NO4 and a molecular weight of 317.26 g/mol. Its IUPAC name is 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one
PubChem CID18003455
Molecular FormulaC14H14F3NO4
Molecular Weight317.26 g/mol
Exact Mass317.09
IUPAC Name4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(COCC(F)(F)F)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C14H14F3NO4/c15-14(16,17)9-21-8-12(19)18-11(7-22-13(18)20)6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyOXPBXCOLYNIKOP-UHFFFAOYSA-N
XLogP2.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one (CID 18003455) is 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one is O=C(COCC(F)(F)F)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is OXPBXCOLYNIKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4/c15-14(16,17)9-21-8-12(19)18-11(7-22-13(18)20)6-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 317.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[2-(2,2,2-trifluoroethoxy)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18003455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).