3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole

C11H12FNO2 — CID 138006518

IUPAC3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(F)c(OCC2=NOCC2)c1
InChIInChI=1S/C11H12FNO2/c1-8-2-3-10(12)11(6-8)14-7-9-4-5-15-13-9/h2-3,6H,4-5,7H2,1H3
InChIKeySYRQJWROAPUQDG-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.29
Rot. Bonds3

About 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole

3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 138006518) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID138006518
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(F)c(OCC2=NOCC2)c1
InChIInChI=1S/C11H12FNO2/c1-8-2-3-10(12)11(6-8)14-7-9-4-5-15-13-9/h2-3,6H,4-5,7H2,1H3
InChIKeySYRQJWROAPUQDG-UHFFFAOYSA-N
XLogP2.29
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole (CID 138006518) is 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole is Cc1ccc(F)c(OCC2=NOCC2)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is SYRQJWROAPUQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-8-2-3-10(12)11(6-8)14-7-9-4-5-15-13-9/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole?
3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 209.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 138006518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).