4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide

C21H20F3N3O3 — CID 3313547

IUPAC4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C21H20F3N3O3/c22-15-6-7-16(19(24)18(15)23)25-20(28)26-10-8-14(9-11-26)27-12-17(30-21(27)29)13-4-2-1-3-5-13/h1-7,14,17H,8-12H2,(H,25,28)
InChIKeyIMLVXJIFPDMZKL-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.29
Rot. Bonds3

About 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide

4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 3313547) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
PubChem CID3313547
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C21H20F3N3O3/c22-15-6-7-16(19(24)18(15)23)25-20(28)26-10-8-14(9-11-26)27-12-17(30-21(27)29)13-4-2-1-3-5-13/h1-7,14,17H,8-12H2,(H,25,28)
InChIKeyIMLVXJIFPDMZKL-UHFFFAOYSA-N
XLogP4.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide 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-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide (CID 3313547) is 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)c(F)c1F)N1CCC(N2CC(c3ccccc3)OC2=O)CC1.
What is the InChIKey of 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The InChIKey is IMLVXJIFPDMZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-15-6-7-16(19(24)18(15)23)25-20(28)26-10-8-14(9-11-26)27-12-17(30-21(27)29)13-4-2-1-3-5-13/h1-7,14,17H,8-12H2,(H,25,28).
What are the key properties of 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3313547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).