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

C11H7FN2O2 — CID 117310539

IUPAC3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc3occc3c2F)no1
InChIInChI=1S/C11H7FN2O2/c12-11-6(8-5-10(13)16-14-8)1-2-9-7(11)3-4-15-9/h1-5H,13H2
InChIKeyMYDICLQMPLVOEP-UHFFFAOYSA-N
MW218.19 g/mol
LogP2.81
Rot. Bonds1

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

3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine (PubChem CID 117310539) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
PubChem CID117310539
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc3occc3c2F)no1
InChIInChI=1S/C11H7FN2O2/c12-11-6(8-5-10(13)16-14-8)1-2-9-7(11)3-4-15-9/h1-5H,13H2
InChIKeyMYDICLQMPLVOEP-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine (CID 117310539) is 3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc3occc3c2F)no1.
What is the InChIKey of 3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The InChIKey is MYDICLQMPLVOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-11-6(8-5-10(13)16-14-8)1-2-9-7(11)3-4-15-9/h1-5H,13H2.
What are the key properties of 3-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
3-(4-fluoro-1-benzofuran-5-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-(4-fluoro-1-benzofuran-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117310539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).