2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide

C16H9F3N2O2 — CID 110681510

IUPAC2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C16H9F3N2O2/c17-10-6-7-11(14(19)13(10)18)21-15(22)12-8-20-16(23-12)9-4-2-1-3-5-9/h1-8H,(H,21,22)
InChIKeyKXTUPSSTZTZNIT-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.01
Rot. Bonds3

About 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide

2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide (PubChem CID 110681510) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide
PubChem CID110681510
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C16H9F3N2O2/c17-10-6-7-11(14(19)13(10)18)21-15(22)12-8-20-16(23-12)9-4-2-1-3-5-9/h1-8H,(H,21,22)
InChIKeyKXTUPSSTZTZNIT-UHFFFAOYSA-N
XLogP4.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-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 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide (CID 110681510) is 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cnc(-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is KXTUPSSTZTZNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-10-6-7-11(14(19)13(10)18)21-15(22)12-8-20-16(23-12)9-4-2-1-3-5-9/h1-8H,(H,21,22).
What are the key properties of 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide?
2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 318.25 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110681510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).