5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine

C11H9F5N2O — CID 88611189

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine
SMILESNN1COC(C(F)(F)C(F)(F)F)=C1c1ccccc1
InChIInChI=1S/C11H9F5N2O/c12-10(13,11(14,15)16)9-8(18(17)6-19-9)7-4-2-1-3-5-7/h1-5H,6,17H2
InChIKeyDYESAHKNFIZIJG-UHFFFAOYSA-N
MW280.20 g/mol
LogP2.72
Rot. Bonds2

About 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine

5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine (PubChem CID 88611189) has the molecular formula C11H9F5N2O and a molecular weight of 280.20 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine
PubChem CID88611189
Molecular FormulaC11H9F5N2O
Molecular Weight280.20 g/mol
Exact Mass280.06
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine
SMILESNN1COC(C(F)(F)C(F)(F)F)=C1c1ccccc1
InChIInChI=1S/C11H9F5N2O/c12-10(13,11(14,15)16)9-8(18(17)6-19-9)7-4-2-1-3-5-7/h1-5H,6,17H2
InChIKeyDYESAHKNFIZIJG-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine 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 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine (CID 88611189) is 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine is NN1COC(C(F)(F)C(F)(F)F)=C1c1ccccc1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine?
The InChIKey is DYESAHKNFIZIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5N2O/c12-10(13,11(14,15)16)9-8(18(17)6-19-9)7-4-2-1-3-5-7/h1-5H,6,17H2.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine?
5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine has a molecular weight of 280.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine is sourced from PubChem (CID 88611189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).