4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine

C11H9F3N2O — CID 15613898

IUPAC4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O/c1-6-2-4-7(5-3-6)8-9(11(12,13)14)17-16-10(8)15/h2-5H,1H3,(H2,15,16)
InChIKeyUBMUANHTJGFXNN-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.25
Rot. Bonds1

About 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine

4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine (PubChem CID 15613898) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
PubChem CID15613898
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O/c1-6-2-4-7(5-3-6)8-9(11(12,13)14)17-16-10(8)15/h2-5H,1H3,(H2,15,16)
InChIKeyUBMUANHTJGFXNN-UHFFFAOYSA-N
XLogP3.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylphenyl)-5-(trifluoromethyl)-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 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine (CID 15613898) is 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The InChIKey is UBMUANHTJGFXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-2-4-7(5-3-6)8-9(11(12,13)14)17-16-10(8)15/h2-5H,1H3,(H2,15,16).
What are the key properties of 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine has a molecular weight of 242.20 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 15613898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).