4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine

C11H9FN2O3 — CID 117344229

IUPAC4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C11H9FN2O3/c12-8-3-6(7-5-14-17-11(7)13)4-9-10(8)16-2-1-15-9/h3-5H,1-2,13H2
InChIKeySTMHVNAGEGPBGB-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.83
Rot. Bonds1

About 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine

4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine (PubChem CID 117344229) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
PubChem CID117344229
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C11H9FN2O3/c12-8-3-6(7-5-14-17-11(7)13)4-9-10(8)16-2-1-15-9/h3-5H,1-2,13H2
InChIKeySTMHVNAGEGPBGB-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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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine (CID 117344229) is 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc(F)c2c(c1)OCCO2.
What is the InChIKey of 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine?
The InChIKey is STMHVNAGEGPBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-8-3-6(7-5-14-17-11(7)13)4-9-10(8)16-2-1-15-9/h3-5H,1-2,13H2.
What are the key properties of 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine?
4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-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 4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117344229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).