4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole

C16H19F2NO2 — CID 58119009

IUPAC4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(COC(F)(F)C(C)(C)C)co2)cc1
InChIInChI=1S/C16H19F2NO2/c1-11-5-7-12(8-6-11)14-19-13(9-20-14)10-21-16(17,18)15(2,3)4/h5-9H,10H2,1-4H3
InChIKeyBGQPWSXQTYUNTM-UHFFFAOYSA-N
MW295.33 g/mol
LogP4.81
Rot. Bonds4

About 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole

4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 58119009) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
PubChem CID58119009
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(COC(F)(F)C(C)(C)C)co2)cc1
InChIInChI=1S/C16H19F2NO2/c1-11-5-7-12(8-6-11)14-19-13(9-20-14)10-21-16(17,18)15(2,3)4/h5-9H,10H2,1-4H3
InChIKeyBGQPWSXQTYUNTM-UHFFFAOYSA-N
XLogP4.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole (CID 58119009) is 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(COC(F)(F)C(C)(C)C)co2)cc1.
What is the InChIKey of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is BGQPWSXQTYUNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-11-5-7-12(8-6-11)14-19-13(9-20-14)10-21-16(17,18)15(2,3)4/h5-9H,10H2,1-4H3.
What are the key properties of 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole?
4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 295.33 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 58119009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).