3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol

C10H9FN2O2 — CID 117297098

IUPAC3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(-c2cnoc2N)c1F
InChIInChI=1S/C10H9FN2O2/c1-5-2-6(14)3-7(9(5)11)8-4-13-15-10(8)12/h2-4,14H,12H2,1H3
InChIKeyFMUKEBTYKWTDQW-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.08
Rot. Bonds1

About 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol

3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol (PubChem CID 117297098) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol
PubChem CID117297098
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(-c2cnoc2N)c1F
InChIInChI=1S/C10H9FN2O2/c1-5-2-6(14)3-7(9(5)11)8-4-13-15-10(8)12/h2-4,14H,12H2,1H3
InChIKeyFMUKEBTYKWTDQW-UHFFFAOYSA-N
XLogP2.08
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol?
The IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol (CID 117297098) is 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol is Cc1cc(O)cc(-c2cnoc2N)c1F.
What is the InChIKey of 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol?
The InChIKey is FMUKEBTYKWTDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-5-2-6(14)3-7(9(5)11)8-4-13-15-10(8)12/h2-4,14H,12H2,1H3.
What are the key properties of 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol?
3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol has a molecular weight of 208.19 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2-oxazol-4-yl)-4-fluoro-5-methylphenol is sourced from PubChem (CID 117297098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).