2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid

C17H14F2N2O4 — CID 24712590

IUPAC2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN(Cc2ccco2)Cc2ccc(F)cc2F)n1
InChIInChI=1S/C17H14F2N2O4/c18-12-4-3-11(14(19)6-12)7-21(8-13-2-1-5-24-13)9-16-20-15(10-25-16)17(22)23/h1-6,10H,7-9H2,(H,22,23)
InChIKeyGOJMHMCKNDGLFA-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.45
Rot. Bonds7

About 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid

2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 24712590) has the molecular formula C17H14F2N2O4 and a molecular weight of 348.31 g/mol. Its IUPAC name is 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID24712590
Molecular FormulaC17H14F2N2O4
Molecular Weight348.31 g/mol
Exact Mass348.09
IUPAC Name2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN(Cc2ccco2)Cc2ccc(F)cc2F)n1
InChIInChI=1S/C17H14F2N2O4/c18-12-4-3-11(14(19)6-12)7-21(8-13-2-1-5-24-13)9-16-20-15(10-25-16)17(22)23/h1-6,10H,7-9H2,(H,22,23)
InChIKeyGOJMHMCKNDGLFA-UHFFFAOYSA-N
XLogP3.45
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[Furan-2-ylmethyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]acetic acid
CID 44571127
2-[[(3-Fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712759
2-[[Furan-2-ylmethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 45995195
2-[[(4-Ethoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 45995198
2-[[Furan-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 45995200
2-[[1,3-Benzodioxol-5-ylmethyl-[(2,4-difluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 45995253
2-[[(2,4-Dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 45995261
2-[[(4-Fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 45995266
2-[[(4-ethoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45998042
2-({[(3-Fluorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[(furan-2-YL)methyl]-1,3-oxazole-4-carboxamide
CID 45998159
2-({[(4-Ethoxyphenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(furan-2-YL)methyl]-1,3-oxazole-4-carboxamide
CID 45998629
2-[[(4-fluorophenyl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46000224

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid (CID 24712590) is 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CN(Cc2ccco2)Cc2ccc(F)cc2F)n1.
What is the InChIKey of 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is GOJMHMCKNDGLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4/c18-12-4-3-11(14(19)6-12)7-21(8-13-2-1-5-24-13)9-16-20-15(10-25-16)17(22)23/h1-6,10H,7-9H2,(H,22,23).
What are the key properties of 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 348.31 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 24712590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).