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

C9H6F2N2O2 — CID 137013055

IUPAC4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
SMILESNc1cc(-c2ccc(O)c(F)c2F)on1
InChIInChI=1S/C9H6F2N2O2/c10-8-4(1-2-5(14)9(8)11)6-3-7(12)13-15-6/h1-3,14H,(H2,12,13)
InChIKeyOOFDMDPJIWXKIZ-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.91
Rot. Bonds1

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

4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol (PubChem CID 137013055) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol.

Molecular Properties

Compound Name4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
PubChem CID137013055
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
SMILESNc1cc(-c2ccc(O)c(F)c2F)on1
InChIInChI=1S/C9H6F2N2O2/c10-8-4(1-2-5(14)9(8)11)6-3-7(12)13-15-6/h1-3,14H,(H2,12,13)
InChIKeyOOFDMDPJIWXKIZ-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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Related Compounds

5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
2-(3-amino-1,2-oxazol-5-yl)-4-fluorophenol
CID 137015317
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
CID 117321250
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
CID 136932435
5-(4-fluoro-1H-indol-5-yl)-1,2-oxazol-3-amine
CID 117308917
5-(3-amino-1,2-oxazol-5-yl)quinolin-8-ol
CID 136968536
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765
6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol
CID 137013109
5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine
CID 117367117
3-(3-amino-1,2-oxazol-5-yl)-5-chloro-4-fluorobenzene-1,2-diol
CID 137011505

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol?
The IUPAC name of 4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol (CID 137013055) is 4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol.
What is the SMILES notation for 4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol?
The canonical SMILES for 4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol is Nc1cc(-c2ccc(O)c(F)c2F)on1.
What is the InChIKey of 4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol?
The InChIKey is OOFDMDPJIWXKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-8-4(1-2-5(14)9(8)11)6-3-7(12)13-15-6/h1-3,14H,(H2,12,13).
What are the key properties of 4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol?
4-(3-amino-1,2-oxazol-5-yl)-2,3-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 4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol is sourced from PubChem (CID 137013055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).