2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide

C13H11F3N2O2 — CID 87295669

IUPAC2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide
SMILESCc1cnc(Cc2cccc(NC(=O)C(F)(F)F)c2)o1
InChIInChI=1S/C13H11F3N2O2/c1-8-7-17-11(20-8)6-9-3-2-4-10(5-9)18-12(19)13(14,15)16/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyIMFRGGVXPBENDR-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.07
Rot. Bonds3

About 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide

2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide (PubChem CID 87295669) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide
PubChem CID87295669
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide
SMILESCc1cnc(Cc2cccc(NC(=O)C(F)(F)F)c2)o1
InChIInChI=1S/C13H11F3N2O2/c1-8-7-17-11(20-8)6-9-3-2-4-10(5-9)18-12(19)13(14,15)16/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyIMFRGGVXPBENDR-UHFFFAOYSA-N
XLogP3.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide 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 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide (CID 87295669) is 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide is Cc1cnc(Cc2cccc(NC(=O)C(F)(F)F)c2)o1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide?
The InChIKey is IMFRGGVXPBENDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-8-7-17-11(20-8)6-9-3-2-4-10(5-9)18-12(19)13(14,15)16/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide?
2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide has a molecular weight of 284.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 87295669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).