5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine

C13H15F2N3O — CID 117039040

IUPAC5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine
SMILESCN(CCc1ccc(F)cc1F)Cc1cc(N)no1
InChIInChI=1S/C13H15F2N3O/c1-18(8-11-7-13(16)17-19-11)5-4-9-2-3-10(14)6-12(9)15/h2-3,6-7H,4-5,8H2,1H3,(H2,16,17)
InChIKeyRYAQCWGDSFZVKD-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.21
Rot. Bonds5

About 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine

5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine (PubChem CID 117039040) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine
PubChem CID117039040
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine
SMILESCN(CCc1ccc(F)cc1F)Cc1cc(N)no1
InChIInChI=1S/C13H15F2N3O/c1-18(8-11-7-13(16)17-19-11)5-4-9-2-3-10(14)6-12(9)15/h2-3,6-7H,4-5,8H2,1H3,(H2,16,17)
InChIKeyRYAQCWGDSFZVKD-UHFFFAOYSA-N
XLogP2.21
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine
CID 117039027
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039000
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
CID 117038958
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117038966
5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038908
N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195055
2-chloro-N-[2-(2,4-difluorophenyl)ethyl]-N-methylacetamide
CID 115162195
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038114
N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide
CID 115167494
N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686290
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine (CID 117039040) is 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine is CN(CCc1ccc(F)cc1F)Cc1cc(N)no1.
What is the InChIKey of 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine?
The InChIKey is RYAQCWGDSFZVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-18(8-11-7-13(16)17-19-11)5-4-9-2-3-10(14)6-12(9)15/h2-3,6-7H,4-5,8H2,1H3,(H2,16,17).
What are the key properties of 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine?
5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine has a molecular weight of 267.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117039040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).