[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate

C15H17F3N2O4 — CID 3049198

IUPAC[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC1CN(c2cccc(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C15H17F3N2O4/c1-9(2)19-13(21)23-8-12-7-20(14(22)24-12)11-5-3-4-10(6-11)15(16,17)18/h3-6,9,12H,7-8H2,1-2H3,(H,19,21)
InChIKeyCKFRJLQAEBVBGM-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.17
Rot. Bonds4

About [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate

[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate (PubChem CID 3049198) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate
PubChem CID3049198
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC1CN(c2cccc(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C15H17F3N2O4/c1-9(2)19-13(21)23-8-12-7-20(14(22)24-12)11-5-3-4-10(6-11)15(16,17)18/h3-6,9,12H,7-8H2,1-2H3,(H,19,21)
InChIKeyCKFRJLQAEBVBGM-UHFFFAOYSA-N
XLogP3.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate?
The IUPAC name of [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate (CID 3049198) is [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate.
What is the SMILES notation for [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate?
The canonical SMILES for [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCC1CN(c2cccc(C(F)(F)F)c2)C(=O)O1.
What is the InChIKey of [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate?
The InChIKey is CKFRJLQAEBVBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c1-9(2)19-13(21)23-8-12-7-20(14(22)24-12)11-5-3-4-10(6-11)15(16,17)18/h3-6,9,12H,7-8H2,1-2H3,(H,19,21).
What are the key properties of [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate?
[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate has a molecular weight of 346.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 3049198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).