4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole

C17H23F2NO — CID 15334503

IUPAC4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(CF)(CF)C1=NC(c2ccc(C(C)(C)C)cc2)CO1
InChIInChI=1S/C17H23F2NO/c1-16(2,3)13-7-5-12(6-8-13)14-9-21-15(20-14)17(4,10-18)11-19/h5-8,14H,9-11H2,1-4H3
InChIKeyZAWCHSUPQFHVNI-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.40
Rot. Bonds4

About 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole

4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 15334503) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID15334503
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(CF)(CF)C1=NC(c2ccc(C(C)(C)C)cc2)CO1
InChIInChI=1S/C17H23F2NO/c1-16(2,3)13-7-5-12(6-8-13)14-9-21-15(20-14)17(4,10-18)11-19/h5-8,14H,9-11H2,1-4H3
InChIKeyZAWCHSUPQFHVNI-UHFFFAOYSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-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-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole (CID 15334503) is 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole is CC(CF)(CF)C1=NC(c2ccc(C(C)(C)C)cc2)CO1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ZAWCHSUPQFHVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-16(2,3)13-7-5-12(6-8-13)14-9-21-15(20-14)17(4,10-18)11-19/h5-8,14H,9-11H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 295.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15334503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).