3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol

C9H6F2N2O2 — CID 117302459

IUPAC3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
SMILESNc1cc(-c2ccc(F)c(O)c2F)no1
InChIInChI=1S/C9H6F2N2O2/c10-5-2-1-4(8(11)9(5)14)6-3-7(12)15-13-6/h1-3,14H,12H2
InChIKeyXAAUUSDEJICWRX-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.91
Rot. Bonds1

About 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol

3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol (PubChem CID 117302459) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
PubChem CID117302459
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
SMILESNc1cc(-c2ccc(F)c(O)c2F)no1
InChIInChI=1S/C9H6F2N2O2/c10-5-2-1-4(8(11)9(5)14)6-3-7(12)15-13-6/h1-3,14H,12H2
InChIKeyXAAUUSDEJICWRX-UHFFFAOYSA-N
XLogP1.91
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol with MolForge

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

Launch Full Analysis

Related Compounds

6-(5-amino-1,2-oxazol-3-yl)-2-fluoro-3-methylphenol
CID 136998707
2-(5-amino-1,2-oxazol-3-yl)-6-fluoro-4-methylphenol
CID 136998714
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
4-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015302
3-(5-amino-1,2-oxazol-3-yl)-6-(trifluoromethyl)benzene-1,2-diol
CID 136963417
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325881
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
4-(5-amino-1,2-oxazol-3-yl)-3-methylphenol
CID 137012596
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol
CID 137011592
5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol
CID 117348496
3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117439369
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol?
The IUPAC name of 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol (CID 117302459) is 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol is Nc1cc(-c2ccc(F)c(O)c2F)no1.
What is the InChIKey of 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol?
The InChIKey is XAAUUSDEJICWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-5-2-1-4(8(11)9(5)14)6-3-7(12)15-13-6/h1-3,14H,12H2.
What are the key properties of 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol?
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol has a molecular weight of 212.16 g/mol, XLogP of 1.91, 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-3-yl)-2,6-difluorophenol is sourced from PubChem (CID 117302459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).