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

C9H7FN2O2 — CID 117284260

IUPAC3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol
SMILESNc1oncc1-c1cc(O)ccc1F
InChIInChI=1S/C9H7FN2O2/c10-8-2-1-5(13)3-6(8)7-4-12-14-9(7)11/h1-4,13H,11H2
InChIKeyLNSVSSLKFREPLQ-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.77
Rot. Bonds1

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

3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol (PubChem CID 117284260) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol
PubChem CID117284260
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol
SMILESNc1oncc1-c1cc(O)ccc1F
InChIInChI=1S/C9H7FN2O2/c10-8-2-1-5(13)3-6(8)7-4-12-14-9(7)11/h1-4,13H,11H2
InChIKeyLNSVSSLKFREPLQ-UHFFFAOYSA-N
XLogP1.77
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.77
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-fluorophenol?
The IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol (CID 117284260) is 3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol is Nc1oncc1-c1cc(O)ccc1F.
What is the InChIKey of 3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol?
The InChIKey is LNSVSSLKFREPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-8-2-1-5(13)3-6(8)7-4-12-14-9(7)11/h1-4,13H,11H2.
What are the key properties of 3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol?
3-(5-amino-1,2-oxazol-4-yl)-4-fluorophenol has a molecular weight of 194.17 g/mol, XLogP of 1.77, 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-fluorophenol is sourced from PubChem (CID 117284260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).