3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole

C14H12FN3O2 — CID 139003103

IUPAC3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole
SMILESCn1nccc1-c1ccc(F)cc1OCc1ccon1
InChIInChI=1S/C14H12FN3O2/c1-18-13(4-6-16-18)12-3-2-10(15)8-14(12)19-9-11-5-7-20-17-11/h2-8H,9H2,1H3
InChIKeyCMNLQKBOGZVSSK-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.79
Rot. Bonds4

About 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole

3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole (PubChem CID 139003103) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole
PubChem CID139003103
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole
SMILESCn1nccc1-c1ccc(F)cc1OCc1ccon1
InChIInChI=1S/C14H12FN3O2/c1-18-13(4-6-16-18)12-3-2-10(15)8-14(12)19-9-11-5-7-20-17-11/h2-8H,9H2,1H3
InChIKeyCMNLQKBOGZVSSK-UHFFFAOYSA-N
XLogP2.79
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole?
The IUPAC name of 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole (CID 139003103) is 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole is Cn1nccc1-c1ccc(F)cc1OCc1ccon1.
What is the InChIKey of 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole?
The InChIKey is CMNLQKBOGZVSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-18-13(4-6-16-18)12-3-2-10(15)8-14(12)19-9-11-5-7-20-17-11/h2-8H,9H2,1H3.
What are the key properties of 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole?
3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole has a molecular weight of 273.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]methyl]-1,2-oxazole is sourced from PubChem (CID 139003103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).