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

Name: 3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₂FNO₂ — CID 138006518

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID	138006518
Molecular Formula	C₁₁H₁₂FNO₂
Molecular Weight	209.22 g/mol
Exact Mass	209.09
IUPAC Name	3-[(2-fluoro-5-methylphenoxy)methyl]-4,5-dihydro-1,2-oxazole
SMILES	Cc1ccc(F)c(OCC2=NOCC2)c1
InChI	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
InChIKey	SYRQJWROAPUQDG-UHFFFAOYSA-N
XLogP	2.29
TPSA	30.82 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.22
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 138006518 — identifiers, structure, computed properties (public domain)

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