5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine

C11H9FN2O3 — CID 117344208

IUPAC5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2c(F)ccc3c2OCCO3)on1
InChIInChI=1S/C11H9FN2O3/c12-6-1-2-7-11(16-4-3-15-7)10(6)8-5-9(13)14-17-8/h1-2,5H,3-4H2,(H2,13,14)
InChIKeyVLPTVGINZNKNGA-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.83
Rot. Bonds1

About 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine

5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine (PubChem CID 117344208) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine
PubChem CID117344208
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2c(F)ccc3c2OCCO3)on1
InChIInChI=1S/C11H9FN2O3/c12-6-1-2-7-11(16-4-3-15-7)10(6)8-5-9(13)14-17-8/h1-2,5H,3-4H2,(H2,13,14)
InChIKeyVLPTVGINZNKNGA-UHFFFAOYSA-N
XLogP1.83
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine
CID 115111734
5-(5-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349708
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-methylpyrazol-5-amine
CID 117412195
5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine
CID 117423939
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117495870
[3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117416691
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(4-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454777

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine (CID 117344208) is 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine is Nc1cc(-c2c(F)ccc3c2OCCO3)on1.
What is the InChIKey of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine?
The InChIKey is VLPTVGINZNKNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-6-1-2-7-11(16-4-3-15-7)10(6)8-5-9(13)14-17-8/h1-2,5H,3-4H2,(H2,13,14).
What are the key properties of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine?
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine has a molecular weight of 236.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117344208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).