5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine

C11H6F2N2O2 — CID 117344153

IUPAC5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2c(F)cc(F)c3occc23)on1
InChIInChI=1S/C11H6F2N2O2/c12-6-3-7(13)11-5(1-2-16-11)10(6)8-4-9(14)15-17-8/h1-4H,(H2,14,15)
InChIKeyJIROXADOMMFQAX-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.95
Rot. Bonds1

About 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine

5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine (PubChem CID 117344153) has the molecular formula C11H6F2N2O2 and a molecular weight of 236.18 g/mol. Its IUPAC name is 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine
PubChem CID117344153
Molecular FormulaC11H6F2N2O2
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2c(F)cc(F)c3occc23)on1
InChIInChI=1S/C11H6F2N2O2/c12-6-3-7(13)11-5(1-2-16-11)10(6)8-4-9(14)15-17-8/h1-4H,(H2,14,15)
InChIKeyJIROXADOMMFQAX-UHFFFAOYSA-N
XLogP2.95
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,6-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393410
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393405
[3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117380348
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine
CID 117332191
5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine
CID 115111734
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117321679
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine
CID 117344208

Frequently Asked Questions

What is the IUPAC name of 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine (CID 117344153) is 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine is Nc1cc(-c2c(F)cc(F)c3occc23)on1.
What is the InChIKey of 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine?
The InChIKey is JIROXADOMMFQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O2/c12-6-3-7(13)11-5(1-2-16-11)10(6)8-4-9(14)15-17-8/h1-4H,(H2,14,15).
What are the key properties of 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine?
5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine has a molecular weight of 236.18 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117344153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).