2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine

C11H9F3N4O — CID 71549277

IUPAC2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ncco1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)7-3-1-2-4-8(7)17-9(15)18-10-16-5-6-19-10/h1-6H,(H3,15,16,17,18)
InChIKeyAIKMDLHSGPJBPF-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.75
Rot. Bonds2

About 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine

2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine (PubChem CID 71549277) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
PubChem CID71549277
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ncco1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)7-3-1-2-4-8(7)17-9(15)18-10-16-5-6-19-10/h1-6H,(H3,15,16,17,18)
InChIKeyAIKMDLHSGPJBPF-UHFFFAOYSA-N
XLogP2.75
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine 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-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine (CID 71549277) is 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine is N/C(=N\c1ncco1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is AIKMDLHSGPJBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)7-3-1-2-4-8(7)17-9(15)18-10-16-5-6-19-10/h1-6H,(H3,15,16,17,18).
What are the key properties of 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 270.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 71549277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).