4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole

C12H14FNO — CID 150814139

IUPAC4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole
SMILESCC1(CCc2ccc(F)cc2)COC=N1
InChIInChI=1S/C12H14FNO/c1-12(8-15-9-14-12)7-6-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyKIMXYNKTKHLETH-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.58
Rot. Bonds3

About 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole

4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole (PubChem CID 150814139) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole
PubChem CID150814139
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole
SMILESCC1(CCc2ccc(F)cc2)COC=N1
InChIInChI=1S/C12H14FNO/c1-12(8-15-9-14-12)7-6-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyKIMXYNKTKHLETH-UHFFFAOYSA-N
XLogP2.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole (CID 150814139) is 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole is CC1(CCc2ccc(F)cc2)COC=N1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole?
The InChIKey is KIMXYNKTKHLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(8-15-9-14-12)7-6-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole?
4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole has a molecular weight of 207.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-4-methyl-5H-1,3-oxazole is sourced from PubChem (CID 150814139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).