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

C10H9FN2O2 — CID 117297108

IUPAC2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol
SMILESCc1c(F)ccc(O)c1-c1cnoc1N
InChIInChI=1S/C10H9FN2O2/c1-5-7(11)2-3-8(14)9(5)6-4-13-15-10(6)12/h2-4,14H,12H2,1H3
InChIKeyVJCOKCDBUSCPPQ-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.08
Rot. Bonds1

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

2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol (PubChem CID 117297108) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol
PubChem CID117297108
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol
SMILESCc1c(F)ccc(O)c1-c1cnoc1N
InChIInChI=1S/C10H9FN2O2/c1-5-7(11)2-3-8(14)9(5)6-4-13-15-10(6)12/h2-4,14H,12H2,1H3
InChIKeyVJCOKCDBUSCPPQ-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

Analyze 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol 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 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol (CID 117297108) is 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol is Cc1c(F)ccc(O)c1-c1cnoc1N.
What is the InChIKey of 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol?
The InChIKey is VJCOKCDBUSCPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-5-7(11)2-3-8(14)9(5)6-4-13-15-10(6)12/h2-4,14H,12H2,1H3.
What are the key properties of 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol?
2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-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 2-(5-amino-1,2-oxazol-4-yl)-4-fluoro-3-methylphenol is sourced from PubChem (CID 117297108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).