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

C11H7F5N2O — CID 15613906

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(C(F)(F)C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H7F5N2O/c12-10(13,11(14,15)16)8-7(9(17)18-19-8)6-4-2-1-3-5-6/h1-5H,(H2,17,18)
InChIKeyLWMAYRLPDIZXQE-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.58
Rot. Bonds2

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

5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 15613906) has the molecular formula C11H7F5N2O and a molecular weight of 278.18 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID15613906
Molecular FormulaC11H7F5N2O
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(C(F)(F)C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H7F5N2O/c12-10(13,11(14,15)16)8-7(9(17)18-19-8)6-4-2-1-3-5-6/h1-5H,(H2,17,18)
InChIKeyLWMAYRLPDIZXQE-UHFFFAOYSA-N
XLogP3.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-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-1,2-oxazol-3-amine?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine (CID 15613906) is 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine is Nc1noc(C(F)(F)C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is LWMAYRLPDIZXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O/c12-10(13,11(14,15)16)8-7(9(17)18-19-8)6-4-2-1-3-5-6/h1-5H,(H2,17,18).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine?
5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 278.18 g/mol, XLogP of 3.58, 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-1,2-oxazol-3-amine is sourced from PubChem (CID 15613906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).