2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine

C11H11FN2O2 — CID 19596597

IUPAC2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc(-c2ccccc2)c1F
InChIInChI=1S/C11H11FN2O2/c12-9-10(8-4-2-1-3-5-8)16-14-11(9)15-7-6-13/h1-5H,6-7,13H2
InChIKeyIECJJGRMHNXWHH-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.82
Rot. Bonds4

About 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine

2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine (PubChem CID 19596597) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
PubChem CID19596597
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc(-c2ccccc2)c1F
InChIInChI=1S/C11H11FN2O2/c12-9-10(8-4-2-1-3-5-8)16-14-11(9)15-7-6-13/h1-5H,6-7,13H2
InChIKeyIECJJGRMHNXWHH-UHFFFAOYSA-N
XLogP1.82
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine?
The IUPAC name of 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine (CID 19596597) is 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine?
The canonical SMILES for 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine is NCCOc1noc(-c2ccccc2)c1F.
What is the InChIKey of 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine?
The InChIKey is IECJJGRMHNXWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-9-10(8-4-2-1-3-5-8)16-14-11(9)15-7-6-13/h1-5H,6-7,13H2.
What are the key properties of 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine?
2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine has a molecular weight of 222.22 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine is sourced from PubChem (CID 19596597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).