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

C17H15F2NO — CID 14853352

IUPAC2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc(F)ccc2-c2ccc(F)cc2)=N1
InChIInChI=1S/C17H15F2NO/c1-17(2)10-21-16(20-17)15-9-13(19)7-8-14(15)11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3
InChIKeyZHCAVDOOLQJCQR-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.19
Rot. Bonds2

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

2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 14853352) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID14853352
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc(F)ccc2-c2ccc(F)cc2)=N1
InChIInChI=1S/C17H15F2NO/c1-17(2)10-21-16(20-17)15-9-13(19)7-8-14(15)11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3
InChIKeyZHCAVDOOLQJCQR-UHFFFAOYSA-N
XLogP4.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 14853352) is 2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cc(F)ccc2-c2ccc(F)cc2)=N1.
What is the InChIKey of 2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ZHCAVDOOLQJCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-17(2)10-21-16(20-17)15-9-13(19)7-8-14(15)11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 287.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 14853352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).