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

C11H10F2N2O2 — CID 19596672

IUPAC2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C11H10F2N2O2/c12-7-1-2-8(9(13)5-7)10-6-11(15-17-10)16-4-3-14/h1-2,5-6H,3-4,14H2
InChIKeyPOMXJJZUTFPADQ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.96
Rot. Bonds4

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

2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine (PubChem CID 19596672) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine
PubChem CID19596672
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C11H10F2N2O2/c12-7-1-2-8(9(13)5-7)10-6-11(15-17-10)16-4-3-14/h1-2,5-6H,3-4,14H2
InChIKeyPOMXJJZUTFPADQ-UHFFFAOYSA-N
XLogP1.96
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine?
The IUPAC name of 2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine (CID 19596672) is 2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine?
The canonical SMILES for 2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine is NCCOc1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of 2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine?
The InChIKey is POMXJJZUTFPADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c12-7-1-2-8(9(13)5-7)10-6-11(15-17-10)16-4-3-14/h1-2,5-6H,3-4,14H2.
What are the key properties of 2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine?
2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine has a molecular weight of 240.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine is sourced from PubChem (CID 19596672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).