N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C12H12F2N2O — CID 65288410

IUPACN-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C12H12F2N2O/c1-2-15-6-8-7-17-12(16-8)11-9(13)4-3-5-10(11)14/h3-5,7,15H,2,6H2,1H3
InChIKeyPMHPLMUZHBOENW-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.73
Rot. Bonds4

About N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 65288410) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID65288410
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C12H12F2N2O/c1-2-15-6-8-7-17-12(16-8)11-9(13)4-3-5-10(11)14/h3-5,7,15H,2,6H2,1H3
InChIKeyPMHPLMUZHBOENW-UHFFFAOYSA-N
XLogP2.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 65288410) is N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1coc(-c2c(F)cccc2F)n1.
What is the InChIKey of N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is PMHPLMUZHBOENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-2-15-6-8-7-17-12(16-8)11-9(13)4-3-5-10(11)14/h3-5,7,15H,2,6H2,1H3.
What are the key properties of N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 238.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65288410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).