2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C20H22FNO — CID 54450775

IUPAC2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C)c(-c2cccc(F)c2C2=NC(C)(C)CO2)c(C)c1
InChIInChI=1S/C20H22FNO/c1-12-9-13(2)17(14(3)10-12)15-7-6-8-16(21)18(15)19-22-20(4,5)11-23-19/h6-10H,11H2,1-5H3
InChIKeyWUUYKVWEFKSSRD-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.97
Rot. Bonds2

About 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 54450775) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID54450775
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C)c(-c2cccc(F)c2C2=NC(C)(C)CO2)c(C)c1
InChIInChI=1S/C20H22FNO/c1-12-9-13(2)17(14(3)10-12)15-7-6-8-16(21)18(15)19-22-20(4,5)11-23-19/h6-10H,11H2,1-5H3
InChIKeyWUUYKVWEFKSSRD-UHFFFAOYSA-N
XLogP4.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 54450775) is 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1cc(C)c(-c2cccc(F)c2C2=NC(C)(C)CO2)c(C)c1.
What is the InChIKey of 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is WUUYKVWEFKSSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-12-9-13(2)17(14(3)10-12)15-7-6-8-16(21)18(15)19-22-20(4,5)11-23-19/h6-10H,11H2,1-5H3.
What are the key properties of 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 311.40 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 54450775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).