2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one

C10H9F3N2O2 — CID 57162984

IUPAC2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
SMILESNc1ccc(C2NC(=O)CO2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-3-5(1-2-7(6)14)9-15-8(16)4-17-9/h1-3,9H,4,14H2,(H,15,16)
InChIKeyRAMDUNNRPLJDQD-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.43
Rot. Bonds1

About 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one

2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one (PubChem CID 57162984) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
PubChem CID57162984
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
SMILESNc1ccc(C2NC(=O)CO2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-3-5(1-2-7(6)14)9-15-8(16)4-17-9/h1-3,9H,4,14H2,(H,15,16)
InChIKeyRAMDUNNRPLJDQD-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-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 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The IUPAC name of 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one (CID 57162984) is 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one is Nc1ccc(C2NC(=O)CO2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The InChIKey is RAMDUNNRPLJDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)6-3-5(1-2-7(6)14)9-15-8(16)4-17-9/h1-3,9H,4,14H2,(H,15,16).
What are the key properties of 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one has a molecular weight of 246.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 57162984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).