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

C9H6F2N2O2 — CID 117302447

IUPAC3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
SMILESNc1cc(-c2c(F)ccc(O)c2F)on1
InChIInChI=1S/C9H6F2N2O2/c10-4-1-2-5(14)9(11)8(4)6-3-7(12)13-15-6/h1-3,14H,(H2,12,13)
InChIKeyMRNWKIAVKBYYDK-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.91
Rot. Bonds1

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

3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol (PubChem CID 117302447) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol.

Molecular Properties

Compound Name3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
PubChem CID117302447
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
SMILESNc1cc(-c2c(F)ccc(O)c2F)on1
InChIInChI=1S/C9H6F2N2O2/c10-4-1-2-5(14)9(11)8(4)6-3-7(12)13-15-6/h1-3,14H,(H2,12,13)
InChIKeyMRNWKIAVKBYYDK-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol?
The IUPAC name of 3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol (CID 117302447) is 3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol.
What is the SMILES notation for 3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol?
The canonical SMILES for 3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol is Nc1cc(-c2c(F)ccc(O)c2F)on1.
What is the InChIKey of 3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol?
The InChIKey is MRNWKIAVKBYYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-4-1-2-5(14)9(11)8(4)6-3-7(12)13-15-6/h1-3,14H,(H2,12,13).
What are the key properties of 3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol?
3-(3-amino-1,2-oxazol-5-yl)-2,4-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-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol is sourced from PubChem (CID 117302447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).