2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol

C16H12FNO2 — CID 873889

IUPAC2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C16H12FNO2/c1-10-2-7-15(19)13(8-10)16-9-14(18-20-16)11-3-5-12(17)6-4-11/h2-9,19H,1H3
InChIKeyMZLONDGTDQSWHL-UHFFFAOYSA-N
MW269.28 g/mol
LogP4.16
Rot. Bonds2

About 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol

2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol (PubChem CID 873889) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol
PubChem CID873889
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C16H12FNO2/c1-10-2-7-15(19)13(8-10)16-9-14(18-20-16)11-3-5-12(17)6-4-11/h2-9,19H,1H3
InChIKeyMZLONDGTDQSWHL-UHFFFAOYSA-N
XLogP4.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol (CID 873889) is 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol is Cc1ccc(O)c(-c2cc(-c3ccc(F)cc3)no2)c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol?
The InChIKey is MZLONDGTDQSWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-10-2-7-15(19)13(8-10)16-9-14(18-20-16)11-3-5-12(17)6-4-11/h2-9,19H,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol?
2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol has a molecular weight of 269.28 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-methylphenol is sourced from PubChem (CID 873889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).