2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol

C10H9FN2O3 — CID 117321294

IUPAC2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc(-c2cnoc2N)c1O
InChIInChI=1S/C10H9FN2O3/c1-15-8-3-5(11)2-6(9(8)14)7-4-13-16-10(7)12/h2-4,14H,12H2,1H3
InChIKeyXZPRQKPYOHNNBJ-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.78
Rot. Bonds2

About 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol

2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol (PubChem CID 117321294) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol
PubChem CID117321294
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc(-c2cnoc2N)c1O
InChIInChI=1S/C10H9FN2O3/c1-15-8-3-5(11)2-6(9(8)14)7-4-13-16-10(7)12/h2-4,14H,12H2,1H3
InChIKeyXZPRQKPYOHNNBJ-UHFFFAOYSA-N
XLogP1.78
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol (CID 117321294) is 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol is COc1cc(F)cc(-c2cnoc2N)c1O.
What is the InChIKey of 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol?
The InChIKey is XZPRQKPYOHNNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-15-8-3-5(11)2-6(9(8)14)7-4-13-16-10(7)12/h2-4,14H,12H2,1H3.
What are the key properties of 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol?
2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol has a molecular weight of 224.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 117321294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).