2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C19H20FNO — CID 54106369

IUPAC2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(F)cc2CCc2ccccc2)=N1
InChIInChI=1S/C19H20FNO/c1-19(2)13-22-18(21-19)17-11-10-16(20)12-15(17)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyNEASATWVJVGBHT-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.17
Rot. Bonds4

About 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 54106369) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID54106369
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(F)cc2CCc2ccccc2)=N1
InChIInChI=1S/C19H20FNO/c1-19(2)13-22-18(21-19)17-11-10-16(20)12-15(17)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyNEASATWVJVGBHT-UHFFFAOYSA-N
XLogP4.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 54106369) is 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(F)cc2CCc2ccccc2)=N1.
What is the InChIKey of 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is NEASATWVJVGBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-19(2)13-22-18(21-19)17-11-10-16(20)12-15(17)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3.
What are the key properties of 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 297.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(2-phenylethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 54106369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).