4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole

C15H14FN3O — CID 56662456

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole
SMILESCc1cc(C)n(Cc2coc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C15H14FN3O/c1-10-7-11(2)19(18-10)8-14-9-20-15(17-14)12-3-5-13(16)6-4-12/h3-7,9H,8H2,1-2H3
InChIKeyARFHTZPLBNIJMH-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.34
Rot. Bonds3

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole

4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole (PubChem CID 56662456) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole
PubChem CID56662456
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole
SMILESCc1cc(C)n(Cc2coc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C15H14FN3O/c1-10-7-11(2)19(18-10)8-14-9-20-15(17-14)12-3-5-13(16)6-4-12/h3-7,9H,8H2,1-2H3
InChIKeyARFHTZPLBNIJMH-UHFFFAOYSA-N
XLogP3.34
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole 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-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole (CID 56662456) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole is Cc1cc(C)n(Cc2coc(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is ARFHTZPLBNIJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-10-7-11(2)19(18-10)8-14-9-20-15(17-14)12-3-5-13(16)6-4-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 271.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 56662456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).