3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine

C11H7FN2O2 — CID 117310537

IUPAC3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)ccc3ccoc23)no1
InChIInChI=1S/C11H7FN2O2/c12-7-2-1-6-3-4-15-11(6)10(7)8-5-9(13)16-14-8/h1-5H,13H2
InChIKeyDBKMFLSRNDRURK-UHFFFAOYSA-N
MW218.19 g/mol
LogP2.81
Rot. Bonds1

About 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine

3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine (PubChem CID 117310537) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine
PubChem CID117310537
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)ccc3ccoc23)no1
InChIInChI=1S/C11H7FN2O2/c12-7-2-1-6-3-4-15-11(6)10(7)8-5-9(13)16-14-8/h1-5H,13H2
InChIKeyDBKMFLSRNDRURK-UHFFFAOYSA-N
XLogP2.81
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117321351
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117344219
3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine
CID 117341328
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
CID 117302459
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346
6-fluoro-1-benzofuran-7-ol
CID 164580528
7-bromo-6-fluoro-1-benzofuran
CID 22144929
4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
CID 137011591

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine (CID 117310537) is 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine is Nc1cc(-c2c(F)ccc3ccoc23)no1.
What is the InChIKey of 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine?
The InChIKey is DBKMFLSRNDRURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-7-2-1-6-3-4-15-11(6)10(7)8-5-9(13)16-14-8/h1-5H,13H2.
What are the key properties of 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine?
3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine has a molecular weight of 218.19 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117310537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).